2-아미노-옥사졸-5-카복실산에틸에스테르

Ethyl 2-amino-1,3-oxazole-5-carboxylate

HCID 5260193CAS 113853-16-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cnc(N)o1
InChIKey: UHUDJKCNXFBBHU-UHFFFAOYSA-N
분자식: C6H8N2O3
평균 분자량: 156.14 g/mol
단동위원소 질량: 156.05349212

이름 및 식별자

우선 이름: Ethyl 2-amino-1,3-oxazole-5-carboxylate
IUPAC: ethyl 2-amino-1,3-oxazole-5-carboxylate
현지명: 2-아미노-옥사졸-5-카복실산에틸에스테르
영어명: 2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
분자식: C6H8N2O3
분자량: 156.14

이름 및 동의어

ethyl 2-amino-1,3-oxazole-5-carboxylateRefChem:594074690-452-0ETHYL 2-AMINOOXAZOLE-5-CARBOXYLATE113853-16-02-Amino-Oxazole-5-Carboxylic Acid Ethyl EsterMFCD066574335-Oxazolecarboxylic acid, 2-amino-, ethyl esterSCHEMBL17054175-(Ethoxycarbonyl)-1,3-oxazol-2-amineAMY1624DTXSID70413941

이름 더 보기

2-아미노-옥사졸-5-카복실산에틸에스테르ETHYL 2-AMINO-5-OXAZOLECARBOXYLATEEthyl2-amino-1,3-oxazole-5-carboxylate95%Ethyl 2-amino-1,3-oxazole-5-carboxylate 98%5-Oxazolecarboxylicacid, 2-aMino-, ethyl ester5-Oxazolecarboxylic acid, 2-amino-, ethyl ester (9CI, ACI)5-(Ethoxycarbonyl)-1,3-oxazol-2-amine, 2-Amino-5-(ethoxycarbonyl)-1,3-oxazole

UHUDJKCNXFBBHU-UHFFFAOYSA-NSBB053929AKOS006344484AB25588CS-W006234PS-5462ETHYL2-AMINOOXAZOLE-5-CARBOXYLATEAC-33819

데이터베이스 식별자

CAS: 113853-16-0
PubChem CID: 5260193
DTXSID: DTXSID70413941
EC Number: 690-452-0

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 78.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 151 · 151-153
끓는 점: 282.9 · 282.9±32.0 °C(Predicted)
밀도: 1.278 · 1.278±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 고체
산도 계수 (pKa): 3.39 · 3.39±0.10(Predicted)
색상: 오프 화이트
InChI: InChI=1S/C6H8N2O3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
InChIKey: UHUDJKCNXFBBHU-UHFFFAOYSA-N
SMILES: O1C(C(OCC)=O)=CN=C1N

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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.