酢酸3-(アミノメチル)-6-メチル-4-プロピルピリジン-2(1H)-オン

3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate

HCID 67124140

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 1346575-64-1
標準SMILES: CCCc1cc(C)[nH]c(=O)c1CN
InChIKey: JBKWKHWTUAUEFI-UHFFFAOYSA-N
分子式: C10H16N2O
平均分子量: 180.25 g/mol

名称と識別子

優先名称: 3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
IUPAC: 3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-one
現地名: 酢酸3-(アミノメチル)-6-メチル-4-プロピルピリジン-2(1H)-オン
英語名: 2(1H)-Pyridinone, 3-(aMinoMethyl)-6-Methyl-4-propyl-
分子式: C10H16N2O
分子量: 180.25

名称と別名

1346575-64-1RefChem:4940993-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate810-554-23-(aminomethyl)-6-methyl-4-propylpyridin-2(1H)-one3-(aminomethyl)-6-methyl-4-propyl-2(1H)-pyridinoneMFCD225812882(1H)-Pyridinone, 3-(aminomethyl)-6-methyl-4-propyl-3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-oneSCHEMBL1694684SCHEMBL13281814JBKWKHWTUAUEFI-UHFFFAOYSA-N

名称をさらに表示

酢酸3-(アミノメチル)-6-メチル-4-プロピルピリジン-2(1H)-オン3-(aminomethyl)-6-methyl-4-propylpyridine-2(1H)-one3-(aMinoMethyl)-6-Methyl-4-propylpyridin-2(1H)-one acetate

AKOS027324923AC-37742DS-11565DB-347645CS-0106608C72377F5414603-aminomethyl-6-methyl-4-propyl-1H-pyridin-2-one

データベース識別子

CAS: 1346575-64-1
PubChem CID: 67124140
EC Number: 810-554-2

物性

構造計算による物性

XLogP: 0.9
極性表面積: 55.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 277

物理化学的性質

沸点: 366.7 · 366.7±34.0 °C(Predicted)
比重(密度): 1.01 · 1.010±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): 12.4 · 12.40±0.10(Predicted)
外見: solid
色: White

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.