6-Amino-2-methylpyridine-3-carbonitrile

HCID 2794662

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 183428-90-2
표준 SMILES: Cc1nc(N)ccc1C#N
InChIKey: OZAIJUZOQOBQDW-UHFFFAOYSA-N
분자식: C7H7N3
평균 분자량: 133.15 g/mol
단동위원소 질량: 133.06399722

이름 및 식별자

우선 이름: 6-Amino-2-methylpyridine-3-carbonitrile
IUPAC: 6-amino-2-methylpyridine-3-carbonitrile
영어명: 6-AMINO-2-METHYLNICOTINONITRILE
분자식: C7H7N3
분자량: 133.15

이름 및 동의어

6-Amino-2-methylpyridine-3-carbonitrileRefChem:540169623-930-46-Amino-2-methylnicotinonitrile183428-90-23-Pyridinecarbonitrile, 6-amino-2-methyl-6-Amino-3-cyano-2-methylpyridine6-amino-2-methyl-pyridine-3-carbonitrileMFCD058651162-Amino-5-cyano-6-methylpyridineDTXSID803833032-methyl-3-cyano-6-amino-pyridine

이름 더 보기

2-methyl-6-aminonicotinoid6-Amino-3-cyano-2-methylpyridine 97%6-amino-2-methyl-3-Pyridinecarbonitrile6-AMINO-2-METHYLPYRIDINE-3-CARBONITRILE, 97%3-Pyridinecarbonitrile,6-amino-2-methyl-(9CI)

AKOS005254207CS-W022440AC-33929EN300-2461876-amino-2-methyl-nicotinonitrileAMY17138SCHEMBL559359orb3030513

데이터베이스 식별자

CAS: 183428-90-2
PubChem CID: 2794662
DTXSID: DTXSID80383303
EC Number: 623-930-4
Nikkaji: J1.059.011F

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 62.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 162 · 162-166 °C
끓는 점: 295.1 · 295.1±40.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
산도 계수 (pKa): 3 · 3+-.0.37(Predicted)
InChI: 1S/C7H7N3/c1-5-6(4-8)2-3-7(9)10-5/h2-3H,1H3,(H2,9,10)
InChIKey: OZAIJUZOQOBQDW-UHFFFAOYSA-N
SMILES: Cc1nc(N)ccc1C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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, 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.