CAS 3430-27-1|3-Amino-4-methylpyridine|4-methylpyridin-3-amine|4-methylpyridin-3-amine|4-Methyl-pyridin-3-ylamine|3-氨基-4-甲基吡啶|4-Methyl-3-pyridinamine|3-Amino-4-methylpyridine|Ampic|3-Amino-4-p...

基本信息

化学结构

分子式

C₆H₈N₂

分子量

108.14112

精确质量

108.06874827

电荷

InChI

InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-4H,7H2,1H3

InChIKey

IBKMZYWDWWIWEL-UHFFFAOYSA-N

Canonic Smiles

Cc1ccncc1N

Isomeric Smiles

c1c(c(ccn1)C)N

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

-0.28974694

LogD (pH = 7.4)

0.39495692

Log P

0.4400688

摩尔折射率

33.6427

极化性

12.333116

极化表面积

38.91

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

3-Amino-4-methylpyridine4-Methyl-pyridin-3-ylamine3-氨基-4-甲基吡啶4-Methyl-3-pyridinamine3-Amino-4-methylpyridineAmpic3-Amino-4-picoline2-Amino-4-picoline4-methylpyridin-3-amine4-Methylpyridin-3-amine3-Amino-4-methylpyridine 98+%

IUPAC传统名

4-methylpyridin-3-amine

IUPAC标准名

4-methylpyridin-3-amine

名称和标识

数据登录号

CAS号

MDL号

PubChem SID

PubChem CID

Beilstein号

数据登录号

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

Sigma Aldrich

697141

包装
5, 25 g in glass bottle

描述信息

参考文献

PubChem文献

数据源提供

• Tucker, T., et al.: J. Med. Chem., 51, 6503 (2007)

• Huang, H., et al.: Anal. Biochem., 363, 12 (2007)

• Ortho-lithiation with t-BuLi of the Boc-protected amine followed by addition of a Weinreb amide gave the 2-alkyl substituted 5-azaindole in good yield: J. Heterocycl. Chem., 29, 359 (1992), whereas DMF gave 6-azaindole in high yield: Synthesis, 877 (1996). 2-Substituted 6-azaindoles have also been synthesized in one step by direct dilithiation with s-BuLi, followed by reaction with an ester: J. Org, Chem., 70, 6512 (2005).

参考文献

生物活性

PubChem BioAssay

生物活性