2-(ジメチルアミノ)-5-ピリジンアミン

N2,N2-dimethylpyridine-2,5-diamine

HCID 78642CAS 4928-43-2

部分構造検索類似構造を探す

基本情報

標準SMILES: CN(C)c1ccc(N)cn1
InChIKey: OBOSXEWFRARQPU-UHFFFAOYSA-N
分子式: C7H11N3
平均分子量: 137.18 g/mol
単同位体質量: 137.09529735

名称と識別子

優先名称: N2,N2-dimethylpyridine-2,5-diamine
IUPAC: 2-N,2-N-dimethylpyridine-2,5-diamine
現地名: 2-(ジメチルアミノ)-5-ピリジンアミン
英語名: N2,N2-dimethylpyridine-2,5-diamine
分子式: C7H11N3
分子量: 137.18

名称と別名

N2,N2-Dimethylpyridine-2,5-diamine4928-43-2EINECS 225-564-7DTXSID90197751RefChem:831493DTXCID50120242225-564-7N2,N2-Dimethyl-2,5-pyridinediamine2-N,2-N-dimethylpyridine-2,5-diamineMFCD086913715-AMINO-2-(DIMETHYLAMINO)PYRIDINEN,N-Dimethylpyridine-2,5-diamine

名称をさらに表示

2-(ジメチルアミノ)-5-ピリジンアミンN,N-ジメチルピリジン-2,5-ジアミンN,N-ジメチル-2,5-ピリジンジアミンN2,N2-ジメチル-2,5-ピリジンジアミンN2,N2-ジメチルピリジン-2,5-ジアミン4-Bromo-2,29-diaminopyridine2-Dimethylamino-5-aminopyridineN,N-Dimethyl-2,5-pyridinediamine3-Amino-6-(dimethylamino)pyridine(5-amino-2-pyridyl)-dimethyl-amine2-methylthiazole-28-carboxylic acid2,5-Pyridinediamine, N2,N2-dimethyl-N~2~,N~2~-dimethyl-2,5-pyridinediamine(SALTDATA: FREE)

N~2~,N~2~-dimethylpyridine-2,5-diamineSCHEMBL14230844FA5EYM225-Amino-2-dimethylaminopyridineSCHEMBL296183522-dimethylamino-5-amino-pyridine2-(dimethylamino)-5-aminopyridineEAA92843

データベース識別子

CAS: 4928-43-2
PubChem CID: 78642
DTXSID: DTXSID90197751
UNII: 44FA5EYM22
EC Number: 225-564-7
Nikkaji: J203.196E

物性

構造計算による物性

XLogP: 0.6
極性表面積: 42.2 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 103

物理化学的性質

沸点: 283.4 · 283.4±20.0 °C(Predicted)
比重(密度): 1.115 · 1.115±0.06 g/cm3(Predicted)
貯蔵温度: RT, protect from light
酸解離定数(Pka): 7.87 · 7.87±0.10(Predicted)
InChI: InChI=1S/C7H11N3/c1-10(2)7-4-3-6(8)5-9-7/h3-5H,8H2,1-2H3
InChIKey: OBOSXEWFRARQPU-UHFFFAOYSA-N
SMILES: C1(N(C)C)=NC=C(N)C=C1
CAS データベース: 4928 · 4928-43-2

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.