CAS 2199-45-3 Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate (HCID 137478)

기본 정보

CAS: 2199-45-3
표준 SMILES: CCOC(=O)c1cc(C)c(C)[nH]1
InChIKey: NJUXFNQDUIJYPO-UHFFFAOYSA-N
분자식: C9H13NO2
평균 분자량: 167.2 g/mol
단동위원소 질량: 167.09462866

이름 및 식별자

우선 이름: Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
현지명: 에틸4,5-디메틸-1H-피롤-2-카르복실레이트
영어명: ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
분자식: C9H13NO2
분자량: 167.21

이름 및 동의어

Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylateRefChem:595126873-231-52199-45-34,5-Dimethyl-1H-pyrrole-2-carboxylic acid ethyl esterMFCD041125371H-Pyrrole-2-carboxylic acid, 4,5-dimethyl-, ethyl esterSCHEMBL2150729DTXSID001764112-Carbethoxy-4,5-dimethylpyrrole2,3-dimethyl-5-carbethoxy-pyrroleCAA19945

이름 더 보기

에틸4,5-디메틸-1H-피롤-2-카르복실레이트Ethyl 2,3-diMethylpyrrole-5-carboxylate

AKOS006292653SB35489AS-48385ethyl-4,5-dimethyl-2-pyrrole carboxylateSY240355DB-360464CS-0151792Ethyl4,5-dimethyl-1H-pyrrole-2-carboxylate

데이터베이스 식별자

CAS: 2199-45-3
PubChem CID: 137478
DTXSID: DTXSID00176411
EC Number: 873-231-5
Nikkaji: J121.885I

물성

구조 계산 물성

XLogP: 2
극성 표면적: 42.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

저장 조건: 2 · 2-8°C

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)

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