(S)-(-)-2-OXO-1,5-이미다졸리딘디카르복실산1-벤질에스테르

(S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl ester

HCID 688196

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59760-01-9
표준 SMILES: O=C(O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1
InChIKey: AYSUEIZKNBGWGN-VIFPVBQESA-N
분자식: C12H12N2O5
평균 분자량: 264.23 g/mol
단동위원소 질량: 264.07462149

이름 및 식별자

우선 이름: (S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl ester
IUPAC: (4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
현지명: (S)-(-)-2-OXO-1,5-이미다졸리딘디카르복실산1-벤질에스테르
영어명: (S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl ester
분자식: C12H12N2O5
분자량: 264.23

이름 및 동의어

(S)-(-)-2-Oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl esterRefChem:407688625-983-959760-01-9(S)-3-((Benzyloxy)carbonyl)-2-oxoimidazolidine-4-carboxylic acidMFCD00192373(4S)-3-[(benzyloxy)carbonyl]-2-oxoimidazolidine-4-carboxylic acid(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acidSCHEMBL464281(S)-3-((Benzyloxy)carbonyl)-2-oxoimidazolidine-4-carboxylicacid(S)-3-(benzyloxycarbonyl)-2-oxoimidazolidine-4-carboxylic acid(S)-2-OXO-IMIDAZOLIDINE-1,5-DICARBOXYLIC ACID 1-BENZYL ESTER

이름 더 보기

(S)-(-)-2-OXO-1,5-이미다졸리딘디카르복실산1-벤질에스테르Imidaprilat Impurity 17(S)-(-)-1-Z-2-Oxo-5-iMidazolidinecarboxylic acid(4S)-3-Cbz-2-oxo-Imidazolidine-4-carboxylic acid(S)-()-1-Cbz-2-Oxo-5-iMidazolidinecarboxylic acid(S)-(-)-2-oxo-1,5-imidazolidine-dicarboxylic acid(S)-(-)-1-Z-2-Oxo-5-imidazolidinecarboxylic acid 98%(S)-(?)-1-Z-2-Oxo-5-imidazolidinecarboxylic acid2-oxo-1,5-imidazolidinedicarboxylic acid, 1-benzyl ester

(S)-3-CBZ-2-Oxo-imidazolidine-4-carboxylic acidAS-71703(4S)-3-benzyloxycarbonyl-2-oxo-imidazolidine-4-carboxylic acid1,5-Imidazolidinedicarboxylic acid, 2-oxo-, 1-(phenylmethyl) ester, (5S)-(S)-(-)-1-Z-2-Oxo-5-imidazolidinecarboxylic acid, 98%(4S)-2-oxo-3-{[(phenylmethyl)oxy]carbonyl}-4-imidazolidinecarboxylic acidDTXSID70350827AYSUEIZKNBGWGN-VIFPVBQESA-N

데이터베이스 식별자

CAS: 59760-01-9
PubChem CID: 688196
DTXSID: DTXSID70350827
EC Number: 625-983-9
Nikkaji: J1.629.517E

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 95.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 19
형식 전하: 0
복잡도: 378

물리화학적 성질

녹는점: 189 °C · 189 °C (dec.)(lit.)
밀도: 1.444 · 1.444±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 3.22 · 3.22±0.20(Predicted)
InChI: 1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey: AYSUEIZKNBGWGN-VIFPVBQESA-N
SMILES: OC(=O)[C@@H]1CNC(=O)N1C(=O)OCc2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.