CAS 104685-76-9 Methyl 5,6-diaminopyridine-3-carboxylate (HCID 9920476)

기본 정보

CAS: 104685-76-9
표준 SMILES: COC(=O)c1cnc(N)c(N)c1
InChIKey: KZFTZZIOEVUOOT-UHFFFAOYSA-N
분자식: C7H9N3O2
평균 분자량: 167.17 g/mol
단동위원소 질량: 167.06947654

이름 및 식별자

우선 이름: Methyl 5,6-diaminopyridine-3-carboxylate
IUPAC: methyl 5,6-diaminopyridine-3-carboxylate
현지명: 5,6-디아미노피리딘-3-카르복실산메틸에스테르
영어명: 5,6-Diaminopyridine-3-carboxylic acid methyl ester
분자식: C7H9N3O2
분자량: 167.17

이름 및 동의어

Methyl 5,6-diaminopyridine-3-carboxylateRefChem:816620820-792-9104685-76-9METHYL 5,6-DIAMINONICOTINATE5,6-Diaminopyridine-3-carboxylic acid methyl esterMFCD116563145,6-diamino-nicotinic acid methyl esterMethyl 5,6-diamino-3-pyridinecarboxylateSCHEMBL41129methyl-5,6-diaminonicotinateorb1962224

이름 더 보기

5,6-디아미노피리딘-3-카르복실산메틸에스테르5,6-DiaMinopyidine-3-carboxxylic acid Methyl ester

SCHEMBL31705858DTXSID80432789KZFTZZIOEVUOOT-UHFFFAOYSA-N3-PYRIDINECARBOXYLIC ACID, 5,6-DIAMINO-, METHYL ESTERMETHYL5,6-DIAMINONICOTINATEEEA68576AKOS022184260AB64509

데이터베이스 식별자

CAS: 104685-76-9
PubChem CID: 9920476
DTXSID: DTXSID80432789
EC Number: 820-792-9

물성

구조 계산 물성

XLogP: -0.3
극성 표면적: 91.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): 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 (100%): 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)

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