BOC-4-페닐피페리딘-4-카르복실산

1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acid

HCID 736917CAS 167262-68-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIKey: ZDWOYDIXKYSZPX-UHFFFAOYSA-N
분자식: C17H23NO4
평균 분자량: 305.4 g/mol
단동위원소 질량: 305.16270822

이름 및 식별자

우선 이름: 1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acid
현지명: BOC-4-페닐피페리딘-4-카르복실산
영어명: BOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID
분자식: C17H23NO4
분자량: 305.37

이름 및 동의어

1-[(tert-butoxy)carbonyl]-4-phenylpiperidine-4-carboxylic acid1-((Tert-butoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acidRefChem:419089818-930-8167262-68-21-(tert-Butoxycarbonyl)-4-phenylpiperidine-4-carboxylic acidBOC-4-PHENYLPIPERIDINE-4-CARBOXYLIC ACID1-(tert-butoxycarbonyl)-4-phenyl-4-piperidinecarboxylic acidMFCD006737741-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acidN-Boc-4-phenyl-4-piperidinecarboxylic acid1,4-Piperidinedicarboxylicacid, 4-phenyl-, 1-(1,1-dimethylethyl) ester

이름 더 보기

BOC-4-페닐피페리딘-4-카르복실산RARECHEM EM WB 01821-BOC-4-phenylpiperidine-4-carboxylic acid4-phenylpiperidine-1,4-dimate 1-tert-butyl esterBoc-4-phenylpiperidine-4-carboxylic acid≥ 99% (HPLC)4-PHENYL-PIPERIDINE-1,4-DICARBOXYLIC ACID MONO-TERT-BUTYL ESTER1-[[(tert-Butyl)oxy]carbonyl]-4-phenyl-4-piperidinecarboxylic acid

1-tert-Butoxycarbonyl-4-phenyl-piperidine-4-carboxylic acid1-[(tert-butyl)oxycarbonyl]-4-phenylpiperidine-4-carboxylic acidPh-Pip(Boc)-OHOprea1_008795SCHEMBL972474DTXSID10353135ZDWOYDIXKYSZPX-UHFFFAOYSA-NSBB053338

데이터베이스 식별자

CAS: 167262-68-2
PubChem CID: 736917
DTXSID: DTXSID10353135
EC Number: 818-930-8
Nikkaji: J2.004.507H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 413

물리화학적 성질

녹는점: 187 · 187-189°C
끓는 점: 450 · 450.0±45.0 °C(Predicted)
밀도: 1.176 · 1.176
저장 조건: 0 · Store at 0-5°C
산도 계수 (pKa): 4.09 · 4.09±0.20(Predicted)

화학적 성질

White powder

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, P317, 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.