1-Boc-4-(2-히드록시에틸)피페리딘

1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine

HCID 854140CAS 89151-44-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(CCO)CC1
InChIKey: YBNJZIDYXCGAPX-UHFFFAOYSA-N
분자식: C12H23NO3
평균 분자량: 229.32 g/mol
단동위원소 질량: 229.1677936

이름 및 식별자

우선 이름: 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine
IUPAC: tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate
현지명: 1-Boc-4-(2-히드록시에틸)피페리딘
영어명: 1-Boc-4-(2-hydroxyethyl)piperidine
분자식: C12H23NO3
분자량: 229.32

이름 및 동의어

1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidineRefChem:428695692-472-589151-44-0N-Boc-4-piperidineethanolTert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate1-Boc-4-(2-hydroxyethyl)piperidineMFCD034270861-PIPERIDINECARBOXYLIC ACID, 4-(2-HYDROXYETHYL)-, 1,1-DIMETHYLETHYL ESTERN-Boc-4-piperidine ethanol2-(N-BOC-PIPERIDIN-4-YL)ETHANOL1-(tert-butoxycarbonyl)piperidin -4-ethanol

이름 더 보기

1-Boc-4-(2-히드록시에틸)피페리딘Tirofiban Impurity 57Boc-4-piperidineethanol1-Boc-4-piperidineethanol1-BOC-4-PIPERIDINE EHTANOLBOC-2-(4-PIPERIDYL)ETHANOL1-Boc-4-(hydroxyethyl)pip...N-BOC-4-piperidine-β-ethanolN-Boc-4-piperidineethanol 97%

tert-Butyl 4-(hydroxyethyl)piperidine-1-carboxylate4-(2-Hydroxyeth-1-yl)-1-tert-butoxycarbonylpiperidineN-TERT-BUTOXYCARBONYL-4-PIPERIDINEETHANOLN-(tert-Butoxycarbonyl)-4-piperidineethanol4-(2-HYDROXYETHYL)PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERN-Boc-4-piperidine-ethanolSCHEMBL310405SCHEMBL5341727

데이터베이스 식별자

CAS: 89151-44-0
PubChem CID: 854140
DTXSID: DTXSID30357554
ChEMBL: CHEMBL5305244
EC Number: 692-472-5
Nikkaji: J1.098.029A

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: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 227

물리화학적 성질

끓는 점: 120 · 120-150 °C/0.5 mmHg (lit.)
밀도: 1.043 g/mL · 1.043 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.4730(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: 점성 액체
산도 계수 (pKa): 15.1 · 15.10±0.10(Predicted)
색상: 무색~연황색
InChI: InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-7-4-10(5-8-13)6-9-14/h10,14H,4-9H2,1-3H3
InChIKey: YBNJZIDYXCGAPX-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(CCO)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 2 reports by companies from 2 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
hazard_code: Xi
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 1건

용도N-BOC-4-piperidine-β-ethanol is used to prepare anilinoquinazoline VEGF receptor tyrosine kinase inhibitors with antitumor activities. It is also used to synthesize 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists with antiviral activities.