2,4,6-Trimethyl-3-pyridinamine

HCID 98846CAS 51467-70-0

기본 정보

표준 SMILES: Cc1cc(C)c(N)c(C)n1
InChIKey: MHUDSAALSISURX-UHFFFAOYSA-N
분자식: C8H12N2
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.10004838

이름 및 식별자

우선 이름: 2,4,6-Trimethyl-3-pyridinamine
IUPAC: 2,4,6-trimethylpyridin-3-amine
영어명: 2,4,6-Trimethylpyridin-3-amine
분자식: C8H12N2
분자량: 136.19

이름 및 동의어

2,4,6-Trimethyl-3-pyridinamineRefChem:442952809-451-52,4,6-trimethylpyridin-3-amine51467-70-03-Pyridinamine, 2,4,6-trimethyl-MFCD052570152,4,6-trimethyl-3-pyridylamine2,4,6-trimethyl-3-amino-pyridineNSC170626NSC 170626SCHEMBL5844082

이름 더 보기

2.4.6-TRIMETHYL-3-AMINOPYRIDINE(2,4,6-trimethyl-3-pyridyl)amine2,4,6-trimethyl-pyridin-3-ylamine2,4,6-trimethylpyridin-3-amine(SALTDATA: FREE)2,4,6-Trimethylpyridin-3-amine ISO 9001：2015 REACH

SCHEMBL28173755SCHEMBL29512854DTXSID00199443MHUDSAALSISURX-UHFFFAOYSA-N3-Amino-2,4,6-trimethylpyridineALBB-010288SBB050303STK520591

데이터베이스 식별자

CAS: 51467-70-0
PubChem CID: 98846
DTXSID: DTXSID00199443
EC Number: 809-451-5

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 114

물리화학적 성질

녹는점: 66 °C · 66 °C
끓는 점: 244 °C · 244 °C
밀도: 1.018 · 1.018±0.06 g/cm3(Predicted)
산도 계수 (pKa): 8.26 · 8.26±0.18(Predicted)
물리적 상태: solid
InChI: InChI=1S/C8H12N2/c1-5-4-6(2)10-7(3)8(5)9/h4H,9H2,1-3H3
InChIKey: MHUDSAALSISURX-UHFFFAOYSA-N
SMILES: C1(C)=NC(C)=CC(C)=C1N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.