에틸2-아미노-4-티아졸아세테이트

4-Thiazoleacetic acid, 2-amino-, ethyl ester

HCID 104454CAS 53266-94-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)Cc1csc(N)n1
InChIKey: SHQNGLYXRFCPGZ-UHFFFAOYSA-N
분자식: C7H10N2O2S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.04629856

이름 및 식별자

우선 이름: 4-Thiazoleacetic acid, 2-amino-, ethyl ester
IUPAC: ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate
현지명: 에틸2-아미노-4-티아졸아세테이트
영어명: Ethyl 2-amino-4-thiazoleacetate
분자식: C7H10N2O2S
분자량: 186.23

이름 및 동의어

4-Thiazoleacetic acid, 2-amino-, ethyl esterRefChem:52696253266-94-7Ethyl 2-amino-4-thiazoleacetateEthyl 2-(2-aminothiazol-4-yl)acetateethyl 2-(2-amino-1,3-thiazol-4-yl)acetateEthyl (2-Amino-4-thiazolyl)acetateEthyl 2-aminothiazole-4-acetateMFCD00005330(2-Amino-4-thiazolyl)acetic acid ethyl esterEthyl (2-amino-1,3-thiazol-4-yl)acetateEthyl 2-aminothiazol-4-acetate

이름 더 보기

에틸2-아미노-4-티아졸아세테이트EATAATAAATHEEAURORA 8002cas#53266-94-7AKOS BBS-00007967TIMTEC-BB SBB000258SPECS AB-601/30963022Aminothiazole ethyl acetateEthyl 2-(2-AMinothiazol-4-yl)A

4LA52G9LVBethyl-2-amino-4-thiazoleacetate(2-Aminothiazol-4-yl)acetic acid ethyl esterethyl 2-aminothiazol-4-ylacetateHMS2450A11IDI1_017548SMR0001317522-(2-aminothiazol-4-yl)-acetic acid ethyl ester

데이터베이스 식별자

CAS: 53266-94-7
PubChem CID: 104454
DTXSID: DTXSID10201389
ChEMBL: CHEMBL1492320
UNII: 4LA52G9LVB
EC Number: 258-452-1
Nikkaji: J207.946A

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 93.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 12
형식 전하: 0
복잡도: 165

물리화학적 성질

녹는점: 92 · 92-94 °C (lit.)
끓는 점: 318.5 · 318.5±17.0 °C(Predicted)
밀도: 1.29 · 1.2900 (rough estimate)
굴절률: 1.54 · 1.5400 (estimate)
인화점: 185 °C · 185 °C
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 3.72 · 3.72±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 약간 노란색~베이지색
BRN: 139617 · 139617
InChI: InChI=1S/C7H10N2O2S/c1-2-11-6(10)3-5-4-12-7(8)9-5/h4H,2-3H2,1H3,(H2,8,9)
InChIKey: SHQNGLYXRFCPGZ-UHFFFAOYSA-N
SMILES: S1C=C(CC(OCC)=O)N=C1N

화학적 성질

slightly yellow to beige crystalline powder

안전 및 규제

유해성 정보

Regulatory InformationChemical: 4-Thiazoleacetic acid, 2-amino-, ethyl ester

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 37/39-26-36
위험 등급: IRRITANT
F 고인화성물질: 23
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Ethyl 2-Amino-4-thiazoleacetate, is a versatile building block for the synthesis of various pharmaceutical and biologically active compounds including inhibitors and antibiotics. It is used in the synthesis of Cefdinir (C242675) derivatives.

일반 설명Ethyl 2-aminothiazole-4-acetate is an organic ligand and possess strong coordination ability and display diverse coordination modes due to the presence of N, O coordination atoms.