1H-피롤-2-카르복실산,3-아미노-,에틸에스테르

1H-피롤-2-카르복실산,3-아미노-,에틸에스테르 · 2-Ethoxycarbonyl-3-aminopyrrole · 252932-48-2 · 3-Amino-1H-pyrrole-2-carboxylic acid ethyl ester · 1H-Pyrrole-2-carboxylic acid, 3-amino-, ethyl ester · 1H-Pyrrole-2-carboxylicacid,3-amino-,ethylester(9CI)

https://huagongshe.com/ko/chemical/2773439

식별자 및 물리적 특성

CAS No.	252932-48-2
분자식	C7H10N2O2
평균 분자량	154.17 g/mol
단동위원소 질량	154.07422756 g/mol
SMILES	CCOC(=O)c1[nH]ccc1N
InChIKey	SPNDLEQTZLQLTA-UHFFFAOYSA-N
PubChem CID	2773439
EC No.	631-037-6
DTXSID	DTXSID70378460
현지명	1H-피롤-2-카르복실산,3-아미노-,에틸에스테르

화학 및 물리적 성질

XLogP	1.1
극성 표면적	68.1
수소 결합 공여자 수	2
수소 결합 수용자 수	3
회전 가능 결합 수	3
무거운 원자 수	11
형식 전하	0
복잡도	149
끓는 점	310.9±22.0 °C(Predicted)
밀도	1.238±0.06 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2–8 °C
pKa(산도 계수)	15.93±0.50(Predicted)
InChI	InChI=1S/C7H10N2O2/c1-2-11-7(10)6-5(8)3-4-9-6/h3-4,9H,2,8H2,1H3
InChIKey	SPNDLEQTZLQLTA-UHFFFAOYSA-N
SMILES	N1C=CC(N)=C1C(OCC)=O

안전 및 규제

GHS 분류	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.DangerH318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
규제 정보	1H-Pyrrole-2-carboxylic acid, 3-amino-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (100%)Eye Dam. 1 (100%)
위험 등급	IRRITANT

용도

Ethyl 3-amino-1H-pyrrole-2-carboxylate