CAS 82717-96-2 N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine (HCID 5702571)

이름 및 식별자

우선 이름: N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine
IUPAC: (2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoic acid
영어명: N-[(S)-(+)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanine
분자식: C15H21NO4
분자량: 279.34

이름 및 동의어

82717-96-2N-[(S)-1-Ethoxycarbonyl-3-phenylpropyl]-L-alanineN-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanineUNII-10SZ4IJ77B10SZ4IJ77BN-[1(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanineRAMIPRIL IMPURITY F [EP IMPURITY](2S)-2-(((1S)-1-(Ethoxycarbonyl)-3-phenylpropyl)amino)propanoic acidBenzenebutanoic acid, alpha-((1-carboxyethyl)amino)-, monoethyl ester, (S-(theta,theta))-ENALAPRIL MALEATE IMPURITY B [EP IMPURITY]ENALAPRILAT DIHYDRATE IMPURITY F [EP IMPURITY]QUINAPRIL HYDROCHLORIDE IMPURITY B [EP IMPURITY]

이름 더 보기

ECPPANEPAEPALECPPALApo-LabetalolMoexipril USP RC FEnalapril IMpurity BEnalapril Impurity 9Imidapril Impurity 3

N-((S)-1-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANINESPIRAPRIL HYDROCHLORIDE MONOHYDRATE IMPURITY C [EP IMPURITY](2S)-2-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}propanoic acidBENZENEBUTANOIC ACID, .ALPHA.-(((1S)-1-CARBOXYETHYL)AMINO)-, 1-ETHYL ESTER, (.ALPHA.S)-RAMIPRIL IMPURITY F (EP IMPURITY)ENALAPRIL MALEATE IMPURITY B (EP IMPURITY)ENALAPRILAT DIHYDRATE IMPURITY F (EP IMPURITY)QUINAPRIL HYDROCHLORIDE IMPURITY B (EP IMPURITY)

데이터베이스 식별자

CAS: 82717-96-2
PubChem CID: 5702571
DTXSID: DTXSID901235536
UNII: 10SZ4IJ77B
EC Number: 406-310-6、617-383-0
Nikkaji: J486.330E

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 75.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 20
형식 전하: 0
복잡도: 313

물리화학적 성질

녹는점: 150 · 150-152 °C(lit.)
끓는 점: 422.1 °C · 422.1°C (rough estimate)
밀도: 1.1083 · 1.1083 (rough estimate)
증기압: 1.95 hPa · 1.95hPa at 25℃
굴절률: 29.5 ° · 29.5 ° (C=1, MeOH)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: 6 g/L · 6g/L
산도 계수 (pKa): 2.14 · 2.14±0.10(Predicted)
물리적 상태: 결정성 분말
색상: 하얀색
수용성: 100 mg/L · 100mg/L at 25℃
BRN: 3619501 · 3619501
주요 응용: 펩타이드 합성
InChI: 1S/C15H21NO4/c1-3-20-15(19)13(16-11(2)14(17)18)10-9-12-7-5-4-6-8-12/h4-8,11,13,16H,3,9-10H2,1-2H3,(H,17,18)/t11-,13-/m0/s1
InChIKey: CEIWXEQZZZHLDM-AAEUAGOBSA-N
SMILES: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(O)=O
LogP: 0.12 at · 0.12 at 25℃

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 44.8% (39 of 87) of reports.

Warning

H315 (54%): 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 87 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 60% (3 of 5) of all reports.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 22-11-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7538

Hazard Classes and Categories · 2건

Skin Irrit. 2 (40%)

Skin Irrit. 2 (54%)

안전 데이터

wgk: 3
HS 번호: 29224999
risk_code: 36/37/38
hazard_code: Xi
safety_code: 37/39-26-36
기존화학 물질: KE-13349
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도An intermediate in the synthesis of Ramipril

상·하류 제품 정보

상류 원료

공급사102 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

화합물 노트

불러오는 중…

N-[1(S)-Ethoxycarbonyl-3-phenylpropyl]-L-alanine

기본 정보