槟榔碱

槟榔碱 基本信息
CAS号 63-75-2 分子式 C8H13NO2
分子量 155.19400 精确质量 　155.09500
PSA 　29.54000 LogP 　0.35920
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
63-75-2
3D弹球模型：
立即前往扯扯看
分子式：
C8H13NO2
分子量：
155.19400
中文名称：
槟榔碱
英文名称：
arecoline
中文别名：
槟榔碱;
1162 F;
4-Aminobenzenesulfonamide;
gerison;
gombardol;
Lusil;
lysococcine;
neococcyl;
orgaseptine;
Prontalbin;
prontosil albom;
Prontosil album;
prontosil i;
prontosil white;
Prontylin;
pronzin album;
proseptal;
proseptine;
proseptol;
pysococcine;
rubiazol a;
sanamid;
septamide album;
septanilam;
septinal;
septolix;
septoplex;
Septoplix;
stopton album;
stramid;
strepamide;
strepsan;
streptagol;
streptamid;
streptasol;
Streptocide;
Streptocid album;
streptoclase;
streptocom;
streptol;
strepton;
streptosil;
streptozol;
streptozone;
streptrocide;
sulfamidyl;
sulfamine;
sulfana;
sulfanalone;
sulfanil;
Sulfanilimide;
sulfocidine;
Sulfonamide;
sulfonamide p;
therapol;
Vagitrol;
p-aminophenylsulfonamide;
p-Anilinesulfonamide;
p-Sulfamidoaniline;
Albexan;
albosal;
ambeside;
Aminobenzenesulfonamide;
antistrept;
astreptine;
astrocid;
AVC;
Bacteramid;
bactesid;
aniline-p-sulfonic amide;
dipron;
collomide;
colsulanyde;
copticide;
Deseptyl;
ergaseptine;
erysipan;
estreptocida;
F 1162;
fourneau;
Sulfanilamide
英文别名：
arecoline;
methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;
Arekolin;
Arecolin;
Arecholine;
methyl N-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate;
methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate;
3-Methoxycarbonyl-1-methyl-1,2,5,6-tetrahydropyridine;
Arecaline;
Methylarecaiden;
methyl 1,2,5,6-tetrahydro-1-methylnicotinate;
Methylarecaidin;
Arecoline base;
Arecaidine methyl ester
精确分子量/精确质量：
155.09500
极性分子表面积/PSA：
29.54000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
200-565-5
InChI：
The Key: HJJPJSXJAXAIPN-UHFFFAOYSA-N

物化性质展开↓

密度：
1.059g/cm3
沸点：
209ºC at 760mmHg
闪点：
81.1ºC
折射率：
1.483

安全信息展开↓

海关代码：
2933399090

合成路线查看所有的合成路线

  • 300-08-3

    氢溴酸槟榔碱

  • →

    ~99%

  • 63-75-2

    槟榔碱

  • 117912-07-9

    (3R,4S)-methyl 4-((4-chlorophenyl)thio)-1-methylpiperidine-3-carboxylate

  • →

  • 63-75-2

    槟榔碱

  • +

  • 1142-19-4

    4,4'-二氯二苯二硫醚

  • 144-62-7

    草酸

  • +

  • 86343-57-9

    N-Methyl-3-carbomethoxy-4-hydroxypiperidine

  • →

  • 63-75-2

    槟榔碱

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QT2100000
CHEMICAL NAME :
Nicotinic acid, 1,2,5,6-tetrahydro-1-methyl-, methyl ester
CAS REGISTRY NUMBER :
63-75-2
BEILSTEIN REFERENCE NO. :
0123045
LAST UPDATED :
199703
DATA ITEMS CITED :
21
MOLECULAR FORMULA :
C8-H13-N-O2
MOLECULAR WEIGHT :
155.22
WISWESSER LINE NOTATION :
T6N CUTJ A1 CVO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Behavioral - convulsions or effect on seizure threshold Vascular - contraction (isolated tissues)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
550 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
190 mg/kg
TOXIC EFFECTS :
Nutritional and Gross Metabolic - body temperature decrease
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
36 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - excitement
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
2698 mg/kg/65W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Gastrointestinal - tumors
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Unscheduled DNA synthesis
TYPE OF TEST :
Cytogenetic analysis
TYPE OF TEST :
Sister chromatid exchange
TYPE OF TEST :
Sperm Morphology

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
5 mg/L
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,501,1984 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 37,141,1985

海关数据查看详细

中国海关编码：2933399090

概述：
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积:29.5

7.重原子数量:11

8.表面电荷:0

9.复杂度:187

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多

  • 300-08-3

    氢溴酸槟榔碱

  • 117912-07-9

    (3R,4S)-methyl 4-((4-chlorophenyl)thio)-1-methylpiperidine-3-carboxylate

  • 4685-10-3

    methyl 1-methylpyridin-1-ium-3-carboxylate,iodide

  • 94008-32-9

    N/A

  • 86343-57-9

    N-Methyl-3-carbomethoxy-4-hydroxypiperidine

下游产品

更多

  • 499-04-7

    1,2,5,6-四氫-1-甲菸鹼酸

  • 5809-87-0

    1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide

  • 214335-16-7

    (3S,4s)-4-(4-氯苯基)-1-甲基哌啶-3-羧酸甲酯

  • 26070-52-0

    N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxamide

  • 169105-89-9

    (3R,4R,5R)-5-(羟基甲基)哌啶-3,4-二醇盐酸盐

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP