CAS 183428-90-2 6-Amino-2-methylpyridine-3-carbonitrile (HCID 2794662)

基本情報

CAS: 183428-90-2
標準SMILES: Cc1nc(N)ccc1C#N
InChIKey: OZAIJUZOQOBQDW-UHFFFAOYSA-N
分子式: C7H7N3
平均分子量: 133.15 g/mol
単同位体質量: 133.06399722

名称と識別子

優先名称: 6-Amino-2-methylpyridine-3-carbonitrile
IUPAC: 6-amino-2-methylpyridine-3-carbonitrile
現地名: 6‐アミノ‐2‐メチルニコチノニトリル
英語名: 6-AMINO-2-METHYLNICOTINONITRILE
分子式: C7H7N3
分子量: 133.15

名称と別名

6-Amino-2-methylpyridine-3-carbonitrileRefChem:540169623-930-46-Amino-2-methylnicotinonitrile183428-90-23-Pyridinecarbonitrile, 6-amino-2-methyl-6-Amino-3-cyano-2-methylpyridine6-amino-2-methyl-pyridine-3-carbonitrileMFCD058651162-Amino-5-cyano-6-methylpyridineDTXSID803833032-methyl-3-cyano-6-amino-pyridine

名称をさらに表示

6‐アミノ‐2‐メチルニコチノニトリル2-methyl-6-aminonicotinoid6-Amino-3-cyano-2-methylpyridine 97%6-amino-2-methyl-3-Pyridinecarbonitrile6-AMINO-2-METHYLPYRIDINE-3-CARBONITRILE, 97%3-Pyridinecarbonitrile,6-amino-2-methyl-(9CI)

AKOS005254207CS-W022440AC-33929EN300-2461876-amino-2-methyl-nicotinonitrileAMY17138SCHEMBL559359orb3030513

データベース識別子

CAS: 183428-90-2
PubChem CID: 2794662
DTXSID: DTXSID80383303
EC Number: 623-930-4
Nikkaji: J1.059.011F

物性

構造計算による物性

XLogP: 0.6
極性表面積: 62.7 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: 0
重原子数: 10
形式電荷: 0
複雑度: 157

物理化学的性質

融点: 162 · 162-166 °C
沸点: 295.1 · 295.1±40.0 °C(Predicted)
比重(密度): 1.18 · 1.18±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
外見: solid
酸解離定数(Pka): 3 · 3+-.0.37(Predicted)
InChI: 1S/C7H7N3/c1-5-6(4-8)2-3-7(9)10-5/h2-3H,1H3,(H2,9,10)
InChIKey: OZAIJUZOQOBQDW-UHFFFAOYSA-N
SMILES: Cc1nc(N)ccc1C#N

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.