1-甲基-4-亚硝基哌嗪

1-甲基-4-亚硝基哌嗪 基本信息
CAS号 16339-07-4 分子式 C5H11N3O
分子量 129.16000 精确质量  129.09000
PSA  35.91000 LogP  -0.20900

基本信息 展开↓

CAS号:
16339-07-4
3D弹球模型:
立即前往扯扯看
分子式:
C5H11N3O
分子量:
129.16000
中文名称:
1-甲基-4-亚硝基哌嗪
英文名称:
1-methyl-4-nitrosopiperazine
中文别名:
1-甲基-4-亚硝基哌嗪
英文别名:
1-methyl-4-nitrosopiperazine;
N-Nitrosomethylpiperazine;
N-Nitroso-N'-methylpiperazine;
1-Nitroso-4-methylpiperazine;
N-Nitroso-N'-methylpiperazin;
N-Methyl-npz;
Methylpiperazinenitrosamine;
N-Methylnitrosopiperazine;
1-methyl-4-nitroso-piperazine;
PIPERAZINE,1-METHYL-4-NITROSO;
Methylnitrosopiperidine
精确分子量/精确质量:
129.09000
极性分子表面积/PSA:
35.91000
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。
InChI:
The Key: CEAIOKFZXJMDAS-UHFFFAOYSA-N

物化性质展开↓

密度:
1.2g/cm3
沸点:
236.9ºC at 760mmHg
闪点:
97.1ºC
折射率:
1.561
蒸汽压:
0.0463mmHg at 25°C

安全信息展开↓

海关代码:
2933599090

合成路线查看所有的合成路线

  • 109-01-3

    N-甲基哌嗪

  • ~97%

  • 16339-07-4

    1-甲基-4-亚硝基哌嗪

  • 109-01-3

    N-甲基哌嗪

  • +

  • 70434-12-7

    2-hydroxyethyl nitrite

  • 16339-07-4

    1-甲基-4-亚硝基哌嗪

  • 109-01-3

    N-甲基哌嗪

  • +

  • 544-16-1

    亚硝酸丁酯

  • 16339-07-4

    1-甲基-4-亚硝基哌嗪

  • +

  • 71-36-3

    正丁醇

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM1780000
CHEMICAL NAME :
Piperazine, 1-methyl-4-nitroso-
CAS REGISTRY NUMBER :
16339-07-4
BEILSTEIN REFERENCE NO. :
0117135
LAST UPDATED :
199612
DATA ITEMS CITED :
14
MOLECULAR FORMULA :
C5-H11-N3-O
MOLECULAR WEIGHT :
129.19
WISWESSER LINE NOTATION :
T6N DNTJ ANO D1

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 :
100 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 :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg/59W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20800 mg/kg/40W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
11440 mg/kg/22W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Sense Organs and Special Senses (Olfaction) - tumors
TYPE OF TEST :
Sex chromosome loss and nondisjunction
TYPE OF TEST :
Sex chromosome loss and nondisjunction

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
10 mmol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 37,1044,1977

海关数据查看详细

中国海关编码:2933599090

概述:
2933599090. 其他结构上有嘧啶环的化合物(包括其他结构上有哌嗪环的化合物. 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:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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