6-methyl-5-phenylpyrimidine-2,4-diamine

6-methyl-5-phenylpyrimidine-2,4-diamine 基本信息
CAS号 18588-50-6 分子式 C11H12N4
分子量 200.24000 精确质量 　200.10600
PSA 　77.82000 LogP 　2.77880
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目录
基本信息 物化性质 安全信息 合成路线 毒性 海关数据 上下游

基本信息 展开↓

CAS号：
18588-50-6
3D弹球模型：
立即前往扯扯看
分子式：
C11H12N4
分子量：
200.24000
英文名称：
6-methyl-5-phenylpyrimidine-2,4-diamine
英文别名：
6-methyl-5-phenylpyrimidine-2,4-diamine;
2,4-Diamino-6-methyl-5-phenylpyrimidine;
2,4-Diamino-5-phenyl-6-methylpyrimidine;
Pyrimidine,2,4-diamino-6-methyl-5-phenyl;
2,4-Diamino-5-phenyl-6-methylpyrimidin;
6-Methyl-5-phenyl-2,4-pyrimidinediamine;
6-methyl-5-phenyl-pyrimidine-2,4-diyldiamine;
6-methyl-5-phenyl-pyrimidine-2,4-diamine;
IEM-687;
6-Methyl-5-phenyl-pyrimidin-2,4-diyldiamin
精确分子量/精确质量：
200.10600
极性分子表面积/PSA：
77.82000
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: RBOOBZAJMOATAV-UHFFFAOYSA-N

物化性质展开↓

密度：
1.236g/cm3
沸点：
431.9ºC at 760 mmHg
闪点：
244.9ºC
折射率：
1.667
蒸汽压：
1.16E-07mmHg 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

  • 4468-48-8

    α-苯乙酰乙腈

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  • 18588-50-6

    6-methyl-5-phenylpyrimidine-2,4-diamine

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    3-Methoxy-2-phenyl-cis-crotononitril

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    胍

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    6-methyl-5-phenylpyrimidine-2,4-diamine

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  • 18588-50-6

    6-methyl-5-phenylpyrimidine-2,4-diamine

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV8198000
CHEMICAL NAME :
Pyrimidine, 2,4-diamino-6-methyl-5-phenyl-
CAS REGISTRY NUMBER :
18588-50-6
BEILSTEIN REFERENCE NO. :
0012007
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H12-N4
MOLECULAR WEIGHT :
200.27
WISWESSER LINE NOTATION :
T6N CNJ BZ DZ ER& F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
50 mg/kg
SEX/DURATION :
female 14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material)
REFERENCE :
SJDBA9 Soviet Journal Developmental Biology (English Translation). Translation of Ontogenez. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) V.1- 1970- Volume(issue)/page/year: 7,45,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
25 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
AAGEAA Arkhiv Anatomii, Gistologii i Embriologii. Archives of Anatomy, Histology and Embryology. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-101, 1916-91. Discontinued Volume(issue)/page/year: 71(7),29,1976
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 mg/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - other developmental abnormalities
REFERENCE :
AAGEAA Arkhiv Anatomii, Gistologii i Embriologii. Archives of Anatomy, Histology and Embryology. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-101, 1916-91. Discontinued Volume(issue)/page/year: 71(7),29,1976

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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