(4-メトキシ-3,5-ジメチルピリジン-2-イル)メタンアミン

(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine

HCID 14645997

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 130000-78-1
標準SMILES: COc1c(C)cnc(CN)c1C
InChIKey: CNPVFVHYBKQINB-UHFFFAOYSA-N
分子式: C9H14N2O
平均分子量: 166.22 g/mol
単同位体質量: 166.11061307

名称と識別子

優先名称: (4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine
IUPAC: (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
現地名: (4-メトキシ-3,5-ジメチルピリジン-2-イル)メタンアミン
英語名: (4-methoxy-3,5-dimethylpyridin-2-yl)methanamine
分子式: C9H14N2O
分子量: 166.22

名称と別名

(4-methoxy-3,5-dimethylpyridin-2-yl)methanamineRefChem:402917861-545-5130000-78-11-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine1-(4-methoxy-3,5-dimethylpyridin-2-yl)methanamineMFCD10686625(4-Methoxy-3,5-dimethylpyridin-2-yl)methylamine DiHCl2-Pyridinemethanamine, 4-methoxy-3,5-dimethyl-(4-METHOXY-3,5-DIMETHYL-2-PYRIDYL)METHANAMINE(4-methoxy-3,5-dimethyl-2-pyridyl)methylamine3,5-dimethyl-4-methoxy-2-aminomethylpyridine

名称をさらに表示

(4-メトキシ-3,5-ジメチルピリジン-2-イル)メタンアミン1-(4-メトキシ-3,5-ジメチル-2-ピリジニル)メタンアミン4-methoxy-3,5-dimethyl-2-Pyridinemethanamine(4-methoxy-3,5-dimethylpyridin-2-yl)methylamine1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine(SALTDATA: 2HCl)

SCHEMBL1056427DTXSID70562569ALBB-004974SBB019473STK501510AKOS000216213SB54308DB-062718

データベース識別子

CAS: 130000-78-1
PubChem CID: 14645997
DTXSID: DTXSID70562569
EC Number: 861-545-5

物性

構造計算による物性

XLogP: 0.4
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: 2
重原子数: 12
形式電荷: 0
複雑度: 140

物理化学的性質

沸点: 120 °C · 120 °C(Press: 0.05 Torr)
比重(密度): 1.044 · 1.044±0.06 g/cm3(Predicted)
酸解離定数(Pka): 8.75 · 8.75±0.50(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.