Methyl 6-aminopyridine-2-carboxylate

HCID 13809143

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 36052-26-3
표준 SMILES: COC(=O)c1cccc(N)n1
InChIKey: OHIHEJTUXNQOPM-UHFFFAOYSA-N
분자식: C7H8N2O2
평균 분자량: 152.15 g/mol
단동위원소 질량: 152.0585775

이름 및 식별자

우선 이름: Methyl 6-aminopyridine-2-carboxylate
IUPAC: methyl 6-aminopyridine-2-carboxylate
영어명: 6-AMINOPICOLINIC ACID METHYL ESTER
분자식: C7H8N2O2
분자량: 152.15

이름 및 동의어

36052-26-3methyl 6-aminopyridine-2-carboxylateDTXSID00550151RefChem:356258DTXCID60500935814-176-9Methyl 6-aminopicolinate6-AMINOPICOLINIC ACID METHYL ESTERMFCD002337126-Aminopyridine-2-carboxylic acid methyl esterSCHEMBL4801136-aminopicolinate methyl ester

이름 더 보기

Methyl 2-aMinopyridine-6-carboxylate6-aminopicoLTIANFUCHEM-36052-26-3methyl 6-amino-2-pyridinecarboxylateMethyl 2-amino-6-pyridinecarboxylate6-aMino-5-Methylpyridine-2-carboxylate6-Aminopicolinic Acid Methyl Ester (A)

2-methoxycarbonyl-6-iminopyridineMethy 6-aminopyridine-2-carboxylateEN300-1601042-PYRIDINECARBOXYLIC ACID, 6-AMINO-, METHYL ESTER6-aminopicoli6-Amino-2-pyridinecarboxylic acid methyl ester2-Amino-6-(methoxycarbonyl)pyridineA6261

데이터베이스 식별자

CAS: 36052-26-3
PubChem CID: 13809143
DTXSID: DTXSID00550151
EC Number: 814-176-9
Nikkaji: J759.651K

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 149

물리화학적 성질

녹는점: 95 to · 95.0 to 99.0 °C
끓는 점: 321.1 · 321.1±22.0 °C(Predicted)
밀도: 1.238 · 1.238±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 1.83 · 1.83±0.10(Predicted)
색상: 흰색에서 노란색, 주황색으로
InChI: InChI=1S/C7H8N2O2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3,(H2,8,9)
InChIKey: OHIHEJTUXNQOPM-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=NC(N)=CC=C1

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.