CAS 64436-92-6 5-Methoxypyridin-3-ylamine (HCID 12703595)

基本情報

CAS: 64436-92-6
標準SMILES: COc1cncc(N)c1
InChIKey: CTQPCFFQBYXOAJ-UHFFFAOYSA-N
分子式: C6H8N2O
平均分子量: 124.14 g/mol
単同位体質量: 124.06366288

名称と識別子

優先名称: 5-Methoxypyridin-3-ylamine
IUPAC: 5-methoxypyridin-3-amine
現地名: 5-メトキシピリジン-3-アミン
英語名: 5-Methoxy-pyridin-3-ylamine
分子式: C6H8N2O
分子量: 124.14

名称と別名

5-Methoxypyridin-3-ylamineRefChem:536749696-478-964436-92-63-Amino-5-methoxypyridine5-methoxypyridin-3-amine3-Amino-5-methoxy-pyridine5-Methoxy-pyridin-3-ylamine3-PYRIDINAMINE, 5-METHOXY-MFCD097013695-Methoxy-3-pyridinamine5-amino-3-methoxy pyridine

名称をさらに表示

5-メトキシピリジン-3-アミン5-Me5-Methoxy-pyridin-3-5-Methoxy-3-aminopyridine5-Methoxy-pyridin-3-amine ,98%5-Fluoro-2,6-dimethyl-4-pyrimidinamine

5-methoxyl-pyridin-3-ylamineSCHEMBL113446SCHEMBL311624085-METHOXY-3-PYRIDYLAMINEDTXSID70507430CTQPCFFQBYXOAJ-UHFFFAOYSA-NAKOS005146173AC-3066

データベース識別子

CAS: 64436-92-6
PubChem CID: 12703595
DTXSID: DTXSID70507430
EC Number: 696-478-9
Nikkaji: J3.628.536B

物性

構造計算による物性

XLogP: 0.1
極性表面積: 48.1 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: 9
形式電荷: 0
複雑度: 87.1

物理化学的性質

融点: 64 · 64-65 °C(Solv: benzene (71-43-2))
沸点: 166 · 166-168 °C(Press: 15 Torr)
比重(密度): 1.139 · 1.139±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 5.8 · 5.80±0.10(Predicted)
InChI: InChI=1S/C6H8N2O/c1-9-6-2-5(7)3-8-4-6/h2-4H,7H2,1H3
InChIKey: CTQPCFFQBYXOAJ-UHFFFAOYSA-N
SMILES: C1=NC=C(OC)C=C1N

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.