CAS 19156-63-9 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester (HCID 737094)

기본 정보

CAS: 19156-63-9
표준 SMILES: CCc1cc(C(=O)OC)c(N)s1
InChIKey: YFGOHKLTZXZUPH-UHFFFAOYSA-N
분자식: C8H11NO2S
평균 분자량: 185.25 g/mol
단동위원소 질량: 185.05104959

이름 및 식별자

우선 이름: 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester
IUPAC: methyl 2-amino-5-ethylthiophene-3-carboxylate
현지명: 2-아미노-5-에틸-티오펜-3-카르복실산메틸에스테르
영어명: 2-Amino-5-ethyl-thiophene-3-carboxylic acid methyl ester
분자식: C8H11NO2S
분자량: 185.24

이름 및 동의어

2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl esterRefChem:464585methyl 2-amino-5-ethylthiophene-3-carboxylate19156-63-92-Amino-5-ethylthiophene-3-carboxylic acid methyl esterMFCD01313985methyl 2-amino-5-ethyl-3-thiophenecarboxylate2-amino-5-ethyl-thiophene-3-carboxylic acid methyl ester3-Thiophenecarboxylic acid, 2-amino-5-ethyl-, methyl estermethyl 2-amino-5-ethyl-thiophene-3-carboxylateMaybridge3_003216Oprea1_365499

이름 더 보기

2-아미노-5-에틸-티오펜-3-카르복실산메틸에스테르AKOS B000749ART-CHEM-BB B000749CHEMBRDG-BB 41423522-amino-5-ethylthiophene-3-methyl formatemethyl 2-amino-5-ethylthiophene-3-carboxylate(SALTDATA: FREE)

SCHEMBL19655072-Amino-5-ethyl-thiophene-3-carboxylic acid methylesterCHEMBL4076375DTXSID80353167YFGOHKLTZXZUPH-UHFFFAOYSA-NHMS1440C04ALBB-001664BBL016137

데이터베이스 식별자

CAS: 19156-63-9
PubChem CID: 737094
DTXSID: DTXSID80353167
ChEMBL: CHEMBL4076375
EC Number: 672-046-5
Nikkaji: J3.767.921F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 62 °C · 62 °C(Solv: ethanol (64-17-5); water (7732-18-5))
끓는 점: 298.4 · 298.4±40.0 °C(Predicted)
밀도: 1.219 · 1.219±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 0.38 · 0.38±0.10(Predicted)

화학적 성질

Light yellow solid

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

공급사23 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

武汉凯威斯科技有限公司86-027-67849912 · [email protected]

山东李比希生物医药科技有限公司17866677155 · [email protected]

南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]

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