CAS 115909-91-6 Benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate (HCID 13971210)

기본 정보

CAS: 115909-91-6
표준 SMILES: O=C(OCc1ccccc1)N1CCC(CCO)CC1
InChIKey: SYXSMTCXQUGEIJ-UHFFFAOYSA-N
분자식: C15H21NO3
평균 분자량: 263.33 g/mol
단동위원소 질량: 263.15214353

이름 및 식별자

우선 이름: Benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
IUPAC: benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
현지명: 1-CBZ-4-(2-하이드록시-에틸)-피페리딘
영어명: 1-Cbz-4-(2-hydroxy-ethyl)-piperidine
분자식: C15H21NO3
분자량: 263.33

이름 및 동의어

115909-91-6BENZYL 4-(2-HYDROXYETHYL)PIPERIDINE-1-CARBOXYLATEDTXSID20553487RefChem:328488DTXCID005042701-CBZ-4-(2-HYDROXY-ETHYL)-PIPERIDINE1-Cbz-4-(2-hydroxyethyl)piperidineMFCD04114976Z-4-(2-hydroxy-ethyl)piperidine4-(2-Hydroxy-ethyl)-piperidine-1-carboxylic acid benzyl ester1-PIPERIDINECARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-, PHENYLMETHYL ESTER2-(1-Benzyloxycarbonyl-4-piperidyl)ethanol

이름 더 보기

1-CBZ-4-(2-하이드록시-에틸)-피페리딘4-(2-hydroxyethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester1-Cbz-4-(2-hydroxyethyl)piperidine (Benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate)

N-Cbz-4-piperidineethanolSCHEMBL458148orb3176696SYXSMTCXQUGEIJ-UHFFFAOYSA-NN-Cbz-4-(2-hydroxyethyl)piperidineAR2789AKOS024258345AB19370

데이터베이스 식별자

CAS: 115909-91-6
PubChem CID: 13971210
DTXSID: DTXSID20553487
EC Number: 980-045-9

물성

구조 계산 물성

XLogP: 2
극성 표면적: 49.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 269

물리화학적 성질

끓는 점: 408.7 · 408.7±28.0 °C(Predicted)
밀도: 1.14 · 1.140±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 15.1 · 15.10±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.