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

HCID 67124140CAS 1346575-64-1

기본 정보

표준 SMILES: CCCc1cc(C)[nH]c(=O)c1CN
InChIKey: JBKWKHWTUAUEFI-UHFFFAOYSA-N
분자식: C10H16N2O
평균 분자량: 180.25 g/mol

이름 및 식별자

우선 이름: 3-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate
IUPAC: 3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-one
영어명: 2(1H)-Pyridinone, 3-(aMinoMethyl)-6-Methyl-4-propyl-
분자식: C10H16N2O
분자량: 180.25

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 13
형식 전하: 0
복잡도: 277

물리화학적 성질

끓는 점: 366.7 · 366.7±34.0 °C(Predicted)
밀도: 1.01 · 1.010±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 12.4 · 12.40±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

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.