1-BOC-피페리딘-3-카르복실산

1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid

HCID 2735647

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 71381-75-4
표준 SMILES: CC(C)(C)OC(=O)N1CCCC(C(=O)O)C1
InChIKey: NXILIHONWRXHFA-UHFFFAOYSA-N
분자식: C11H19NO4
평균 분자량: 229.27 g/mol
단동위원소 질량: 229.13140809

이름 및 식별자

우선 이름: 1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acid
IUPAC: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
현지명: 1-BOC-피페리딘-3-카르복실산
영어명: 1-Boc-piperidine-3-carboxylic acid
분자식: C11H19NO4
분자량: 229.27

이름 및 동의어

84358-12-31-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid1-((Tert-butoxy)carbonyl)piperidine-3-carboxylic acidRefChem:419120629-172-01-Boc-piperidine-3-carboxylic acid1-(tert-butoxycarbonyl)piperidine-3-carboxylic acid71381-75-41-Boc-3-piperidinecarboxylic Acidn-boc-nipecotic acidBoc-DL-Nip-OH1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid

이름 더 보기

1-BOC-피페리딘-3-카르복실산BOC-NIPBOC-NIP-OHBOC-DL-NIPC-OHBOC-(R,S)-NIP-OHBOC-DL-PIC(3)-OHRARECHEM EM WB 0154BOC-DL-NIPECOTIC ACIDBOC-3-CARBOXYPIPERIDINEN-BOC-DL-NIPECOTIC ACID

1-Boc-nipecotic Acidn-boc-3-piperidinecarboxylic acid1-tert-Butoxycarbonylpiperidine-3-carboxylic acidMFCD00673775n-boc-piperidine-3-carboxylic acid1-(tert-Butoxycarbonyl)nipecotic Acid1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acidSCHEMBL40057

데이터베이스 식별자

CAS: 71381-75-4、84358-12-3
PubChem CID: 2735647
DTXSID: DTXSID60991708
EC Number: 629-172-0
Nikkaji: J1.891.904D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 66.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 282

물리화학적 성질

녹는점: 159 · 159-162 °C(lit.)

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.