메틸2-아미노-4-메틸-3-티오펜카르복실레이트

Methyl 2-amino-4-methylthiophene-3-carboxylate

HCID 2759773

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4651-98-3
표준 SMILES: COC(=O)c1c(C)csc1N
InChIKey: PLLLBSPBFALBFB-UHFFFAOYSA-N
분자식: C7H9NO2S
평균 분자량: 171.22 g/mol
단동위원소 질량: 171.0353997

이름 및 식별자

우선 이름: Methyl 2-amino-4-methylthiophene-3-carboxylate
IUPAC: methyl 2-amino-4-methylthiophene-3-carboxylate
현지명: 메틸2-아미노-4-메틸-3-티오펜카르복실레이트
영어명: Methyl 2-amino-4-methyl-3-thiophene carboxylate
분자식: C7H9NO2S
분자량: 171.22

이름 및 동의어

methyl 2-amino-4-methylthiophene-3-carboxylate4651-98-3DTXSID10374901RefChem:354050DTXCID90325931Methyl 2-amino-4-methyl-3-thiophene carboxylatemethyl 2-amino-4-methyl-3-thiophenecarboxylateMFCD010708433-Thiophenecarboxylic acid, 2-amino-4-methyl-, methyl esterMethyl2-amino-4-methylthiophene-3-carboxylateSCHEMBL10412402-amino-4-methylthiophene-3-carboxylic acid methyl ester

이름 더 보기

메틸2-아미노-4-메틸-3-티오펜카르복실레이트

PLLLBSPBFALBFB-UHFFFAOYSA-NEAA65198AKOS000220112FS-1653DA-05666SY056692CS-0146629ST50412104

데이터베이스 식별자

CAS: 4651-98-3
PubChem CID: 2759773
DTXSID: DTXSID10374901
EC Number: 674-891-5

물성

구조 계산 물성

XLogP: 2
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 111 · 111-112°C
저장 조건: 2 · 2-8°C(protect from light)
InChI: InChI=1S/C7H9NO2S/c1-4-3-11-6(8)5(4)7(9)10-2/h3H,8H2,1-2H3
InChIKey: PLLLBSPBFALBFB-UHFFFAOYSA-N
SMILES: C1(N)SC=C(C)C=1C(OC)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

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