메틸2-아미노-5-페닐페닐렌-3-카르복실레이트

Methyl 2-amino-5-phenylthiophene-3-carboxylate

HCID 705256CAS 61325-02-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cc(-c2ccccc2)sc1N
InChIKey: QKYRXLPXSJZIQM-UHFFFAOYSA-N
분자식: C12H11NO2S
평균 분자량: 233.29 g/mol
단동위원소 질량: 233.05104959

이름 및 식별자

우선 이름: Methyl 2-amino-5-phenylthiophene-3-carboxylate
IUPAC: methyl 2-amino-5-phenylthiophene-3-carboxylate
현지명: 메틸2-아미노-5-페닐페닐렌-3-카르복실레이트
영어명: METHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATE
분자식: C12H11NO2S
분자량: 233.29

이름 및 동의어

methyl 2-amino-5-phenylthiophene-3-carboxylate61325-02-8DTXSID80351623RefChem:354069DTXCID70302689MFCD020909362-Amino-5-phenyl-thiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-thiophene-3-carboxylate2-Amino-5-phenylthiophene-3-carboxylic acid methyl estermethyl 2-amino-5-phenyl-3-thiophenecarboxylateMethyl2-Amino-5-Phenylthiophene-3-CarboxylateOprea1_082612

이름 더 보기

메틸2-아미노-5-페닐페닐렌-3-카르복실레이트METHYL 2-AMINO-5-PHENYLTHIOPHENE-3-CARBOXYLATMethyl 2-amino-5-phenylthiophene-3-carboxylate ,99%2-amino-5-phenyl-3-thiophenecarboxylic acid methyl ester3-Thiophenecarboxylic acid, 2-aMino-5-phenyl-, Methyl estermethyl 2-amino-5-phenylthiophene-3-carboxylate(SALTDATA: FREE)

MLS000528771SCHEMBL1563613CHEMBL1389689QKYRXLPXSJZIQM-UHFFFAOYSA-NHMS1691F18HMS2345P24ALBB-001959BBL016138

데이터베이스 식별자

CAS: 61325-02-8
PubChem CID: 705256
DTXSID: DTXSID80351623
ChEMBL: CHEMBL1389689
EC Number: 672-044-4
Nikkaji: J784.974E

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 253

물리화학적 성질

녹는점: 195 ° · 195°
저장 조건: 2 · 2-8°C

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.