2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶
- 中文名称：
- 2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶
- 中文别名：
- 2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶;
2-氨基-1-甲基-6-苯基咪唑并[4,5-b]吡啶
- 英文名称：
- 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine
- 英文别名：
- PhIP;
PIQ;
4,5-b>1-methyl-6-phenylimidazo[4,5-b]pyridin-2-amine;
2-amino-1-methyl-6-phenylimidazo<4,5-f>pyridine
- CAS No.：
- 105650-23-5
- 分 子 式：
-
C13H12N4
- 分 子 量：
- 224.261180 g/mol
- 精确分子量：
- 224.10600
- PSA：
- 56.73000
- InChI：
- The Key: UQVKZNNCIHJZLS-UHFFFAOYSA-N3
- 危险品标志：
T
- 风险术语：
T:Toxic;
- 分子结构式：
-
- SDS：
- 查看
2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶 物化性质
- 外观与性状：
- 灰白色固体
- 密度：
- 1.3 g/cm3
- 熔点：
- 300ºC
- 沸点：
- 468.9ºC at 760 mmHg
- 闪点：
- 237.4ºC
- 折射率：
- 1.699
- 蒸汽压：
- 5.74E-09mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥
2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶 安全信息
- 海关代码：
- 2933990090
- 危险标志：
- T: Toxic;
2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ5199900
- CHEMICAL NAME :
- Imidazo(4,5-b)pyridine, 2-amino-1-methyl-6-phenyl-
- CAS REGISTRY NUMBER :
- 105650-23-5
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 31
- MOLECULAR FORMULA :
- C13-H12-N4
- MOLECULAR WEIGHT :
- 224.29
- WISWESSER LINE NOTATION :
- T56 BN DN FNJ B1 CZ HR
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 8736 mg/kg/52W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 37056 mg/kg/83W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 4200 mg/kg/44W-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria
Gastrointestinal - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 449 mg/kg/8W-I
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria
Skin and Appendages - tumors
- TYPE OF TEST :
- DNA adduct
- TYPE OF TEST :
- DNA adduct
- TYPE OF TEST :
- Micronucleus test
- TYPE OF TEST :
- Micronucleus test
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Sister chromatid exchange
- TYPE OF TEST :
- Sister chromatid exchange
- TYPE OF TEST :
- Mutation in mammalian somatic cells
MUTATION DATA
- TYPE OF TEST :
- Mutation in mammalian somatic cells
- TEST SYSTEM :
- Rodent - hamster Lung
- DOSE/DURATION :
- 10 umol/L
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE
Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 325,125,1994
*** REVIEWS ***
IARC Cancer Review:Animal Sufficient 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: 56,229,1993
IARC Cancer Review:Human Inadequate EvidenceE
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: 56,229,1993
IARC Cancer Review:Group 2B
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: 56,229,1993
2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶 海关数据
中国海关编码：2933990090
- 概述：
- 2933990090. 其他仅含氮杂原子的杂环化合物. 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：
- 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶 分子结构与计算化学数据
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:1
3.氢键受体数量:3
4.可旋转化学键数量:1
5.互变异构体数量:3
6.拓扑分子极性表面积:56.7
7.重原子数量:17
8.表面电荷:0
9.复杂度:264
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
2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶 上游产品
2-氨基-1-甲基-6-苯基咪唑[4,5-b]吡啶 下游产品
