2-아미노-5-시아노-4-피콜린

6-Amino-4-methylnicotinonitrile

HCID 9964103

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 179555-10-3
표준 SMILES: Cc1cc(N)ncc1C#N
InChIKey: WOQVCAIIMZEFGA-UHFFFAOYSA-N
분자식: C7H7N3
평균 분자량: 133.15 g/mol
단동위원소 질량: 133.06399724

이름 및 식별자

우선 이름: 6-Amino-4-methylnicotinonitrile
IUPAC: 6-amino-4-methylpyridine-3-carbonitrile
현지명: 2-아미노-5-시아노-4-피콜린
영어명: 2-Amino-5-cyano-4-picoline
분자식: C7H7N3
분자량: 133.15

이름 및 동의어

6-Amino-4-methylnicotinonitrile179555-10-3DTXSID60433355RefChem:307120DTXCID30384183688-418-52-Amino-5-cyano-4-picoline6-amino-4-methylpyridine-3-carbonitrile3-Pyridinecarbonitrile, 6-amino-4-methyl-6-Amino-4-methyl-nicotinonitrileMFCD09839255AKOS006280328

이름 더 보기

2-아미노-5-시아노-4-피콜린2-AMino-5-cyano-4-MethylpyridinenicotinonitriL6-Amino-4-MethyL3-Pyridinecarbonitrile,6-amino-4-methyl-(9CI)2-Amino-5-cyano-4-picoline, 6-Amino-4-methylpyridine-3-carbonitrile

SB343876-amino-4-methyl-3-pyridinecarbonitrileAC-27224EN300-2029513-Pyridinecarbonitrile,6-amino-4-methyl-6-amino-4-methyl-pyridine-3-carbonitrileA812461SCHEMBL2767503

데이터베이스 식별자

CAS: 179555-10-3
PubChem CID: 9964103
DTXSID: DTXSID60433355
EC Number: 688-418-5

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

끓는 점: 318.5 · 318.5±42.0 °C(Predicted)
밀도: 1.18 · 1.18±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 4.1 · 4.10±0.24(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

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.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.