9H-pyrido[2,3-b]indol-2-amine

• ChemBase编号: 85912
• 分子式: C11H9N3
• 平均质量: 183.20926
• 单一同位素质量: 183.0796473
• SMILES: [nH]1c2c(cccc2)c2ccc(nc12)N
• Canonical SMILES: Nc1ccc2c(n1)[nH]c1c2cccc1
• InChI: InChI=1S/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)
• InChIKey: FJTNLJLPLJDTRM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9H-pyrido[2,3-b]indol-2-amine
• IUPAC传统名: 2-amino-9H-pyrido[2,3-b]indole
• 别名: 1H-Pyrido[2,3-b]indol-2-amine; 2-Amino-α-carboline; 9H-1,9-Diazafluoren-2-amine; AαC; 2-Amino-9H-pyrido[2,3-b]indole; Ac; 2-AMINO-9H-PYRIDO [2,3-b] INDOLE

登记号

• CAS号: 26148-68-5
• MDL号: MFCD00210750
• PubChem SID: 162073028
• PubChem CID: 62805

理论计算性质

• Acid pKa: 14.117878
• 质子受体: 2
• 质子供体: 2
• LogD (pH = 5.5): 1.9253587
• LogD (pH = 7.4): 2.0050833
• Log P: 2.006207
• 摩尔折射率: 56.2818 cm^3
• 极化性: 22.698116 Å^3
• 极化表面积: 54.7 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: Dark Beige Solid
• 熔点: 194-196°C; 194-196°C

安全信息

• 保存条件: -20°C Freezer; 2-8°C
• 保存注意事项: Irritant/Mutagen
• RTECS编号: UU9351600
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 危险公开号: R:45
• 安全公开号: S:28-36/37/39-45-53

产品相关信息

• 纯度: ≥98%

详细说明

MP Biomedicals - 02154197

(Ac) Purity: ≥98% A pyrolyzate that exhibited mutagenic activity toward Salmonella typhimurium TA98 and TA100 from the pyrolytic products of soybean globulin.

Apollo Scientific Ltd - OR2900T

A pyrolysate that exhibits mutagenic activity toward Salmonella typhimurium TA98 & TA100.

Toronto Research Chemicals - A629000

A pyrolysate that exhibited mutagenic activity toward Salmonella typhimurium TA98 and TA100 from the pyrolytic products of soybean globulin. 2-Amino-9H-pyrido[2,3-b]indole (AαC) and 2-amino-3-methyl-9H-pyrido[2,3-b]indole (MeAαC) are two mutagenic and car

参考文献

• Biochem. Biophys. Res. Commun., 83, 915 (1978)
• Sugimura, T., et al.: Mutation Research, 290, 43 (1978)
• Eisenbrand, et al.: Toxicology, 84, 1 (1978)