벤질4-히드록시-1-피페리딘카르복실레이트

Benzyl 4-Hydroxy-1-piperidinecarboxylate

HCID 2794620

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 95798-23-5
표준 SMILES: O=C(OCc1ccccc1)N1CCC(O)CC1
InChIKey: JKIUUDJOCYHIGY-UHFFFAOYSA-N
분자식: C13H17NO3
평균 분자량: 235.28 g/mol
단동위원소 질량: 235.1208434

이름 및 식별자

우선 이름: Benzyl 4-Hydroxy-1-piperidinecarboxylate
IUPAC: benzyl 4-hydroxypiperidine-1-carboxylate
현지명: 벤질4-히드록시-1-피페리딘카르복실레이트
영어명: Benzyl 4-hydroxy-1-piperidinecarboxylate
분자식: C13H17NO3
분자량: 235.28

이름 및 동의어

Benzyl 4-hydroxy-1-piperidinecarboxylate1-Piperidinecarboxylic acid, 4-hydroxy-, phenylmethyl esterRefChem:566688628-802-195798-23-5benzyl 4-hydroxypiperidine-1-carboxylate1-CBZ-4-HYDROXYPIPERIDINEC13H17NO3MFCD01863722N-benzyloxycarbonyl-4-hydroxypiperidineBENZYL 4-HYDROXYTETRAHYDRO-1(2H)-PYRIDINECARBOXYLATEN-Cbz-4-hydroxy-1-piperidine

이름 더 보기

벤질4-히드록시-1-피페리딘카르복실레이트BUTTPARK 93\50-531-CBZ-4-hydroxypethidineN-CBZ-4-HYDROXYPIPERIDINE1-Carbobenzoxy-4-hydroxypiperidine1-(Benzyloxycarbonyl)-4-piperidinol

(phenylmethyl) 4-oxidanylpiperidine-1-carboxylatephenylmethyl 4-hydroxypiperidinecarboxylate1-(Benzyloxycarbonyl)-4-hydroxypiperidine; 1-(Benzyloxycarbonyl)-4-piperidinol;B0G1-Cbz-4-piperidinol4-hydroxy-N-CBZ-piperidineSCHEMBL776391-Carbobenzoxy-4-piperidinol

데이터베이스 식별자

CAS: 95798-23-5
PubChem CID: 2794620
DTXSID: DTXSID60383265
EC Number: 628-802-1
Nikkaji: J1.018.975F

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 243

물리화학적 성질

끓는 점: 167 °C/0.2 · 167 °C/0.2 mmHg (lit.)
밀도: 1.554 g/mL · 1.554 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.543(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 기름
산도 계수 (pKa): 14.79 · 14.79±0.20(Predicted)
색상: 오렌지 레드
InChI: InChI=1S/C13H17NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2
InChIKey: JKIUUDJOCYHIGY-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCC(O)CC1

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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야 · 1건

용도Reactant for synthesis of: Orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation Piperidine derivatives Molecular rods Oxazolidinone-quinolone hybrids and their antibacterial activity Cyclic prodrug of RGD peptidomimeticReactant for oxidation of alcohols