Methyl 5-aminofuran-2-carboxylate

HCID 5072225

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 22600-30-2
표준 SMILES: COC(=O)c1ccc(N)o1
InChIKey: KLKQGSISBRVCTK-UHFFFAOYSA-N
분자식: C6H7NO3
평균 분자량: 141.12 g/mol
단동위원소 질량: 141.04259308

이름 및 식별자

우선 이름: Methyl 5-aminofuran-2-carboxylate
IUPAC: methyl 5-aminofuran-2-carboxylate
영어명: Methyl 5-amino-2-furoate
분자식: C6H7NO3
분자량: 141.12

이름 및 동의어

methyl 5-aminofuran-2-carboxylate22600-30-2DTXSID90408031RefChem:816883DTXCID70358883681-821-7methyl 5-amino-2-furoate5-aminofuran-2-carboxylic acid methyl esterMFCD00051661methyl 5-amino-2-furancarboxylatemethyl 5-amino-2-furatemethyl-2-amino-5-furoate

이름 더 보기

5-Amino-2-furoicacidmethylester5-Aminofuroic acid methyl esterMethyl 2-aMino-furan-5-carboxylateMETHYL 5-AMINO-2-FUROATE USP/EP/BP2-Furancarboxylicacid,5-amino-,methylester(9CI)5-Aminofuran-2-carboxylic acid methyl ester~5-Amino-2-furoic acid methyl ester~Methyl 5-aminofuran-2-carboxylate

XAA60030methyl5-amino-2-furoateAS-10222EN300-271392-Furancarboxylic acid, 5-amino-, methyl esterFT-0628847SCHEMBL2231132-amino-5-methoxycarbonylfuran

데이터베이스 식별자

CAS: 22600-30-2
PubChem CID: 5072225
DTXSID: DTXSID90408031
EC Number: 681-821-7
Nikkaji: J725.599C

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 10
형식 전하: 0
복잡도: 137

물리화학적 성질

녹는점: 132 · 132-134°C
끓는 점: 277.9 · 277.9±20.0 °C(Predicted)
밀도: 1 · 1+-.0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): -0.67 · -0.67±0.10(Predicted)
BRN: 1365799 · 1365799

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.