4-P-아미노페닐-1-BOC-피페리딘

tert-Butyl 4-(4-aminophenyl)piperidine-1-carboxylate

HCID 21940085CAS 170011-57-1

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CCC(c2ccc(N)cc2)CC1
InChIKey: YRLQFRXDWBFGMK-UHFFFAOYSA-N
분자식: C16H24N2O2
평균 분자량: 276.37 g/mol
단동위원소 질량: 276.18377801

이름 및 식별자

우선 이름: tert-Butyl 4-(4-aminophenyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylate
현지명: 4-P-아미노페닐-1-BOC-피페리딘
영어명: 4-p-Aminophenyl-1-Boc-piperidine
분자식: C16H24N2O2
분자량: 276.37

이름 및 동의어

170011-57-1tert-butyl 4-(4-aminophenyl)piperidine-1-carboxylateDTXSID50620434RefChem:383499DTXCID40571188674-594-01-boc-4-(4-aminophenyl)piperidine4-P-AMINOPHENYL-1-BOC-PIPERIDINE4-(4-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl esterMFCD058614051-Boc-4-(4-aminophenyl)-piperidine1-piperidinecarboxylic acid, 4-(4-aminophenyl)-, 1,1-dimethylethyl ester

이름 더 보기

4-P-아미노페닐-1-BOC-피페리딘Ceritinib Impurity 214-(1-Boc-4-piperidyl)aniline1-N-Boc-(4-aminophenyl)piperidine4-(1-Boc-piperidin-4-yl)-phenylami4-(1-Boc-piperidin-4-yl)-phenylamine, 98%1-(tert-Butoxycarbonyl)-4-(4-aminophenyl)piperidinetert-butyl 4-(4-aminophenyl)piperidin-1-carboxylate4-(4-Aminophenyl)piperidin-1-carboxylic acid tert-butyl ester

SCHEMBL270733TERT-BUTYL 4-(4-AMINOPHENYL)-1-PIPERIDINECARBOXYLATEAB22475DS-12488EN300-268334t-butyl 4-(4-aminophenyl)-piperidine-1-carboxylate1-boc-4-(4-aminophenyl) piperidine4-(4-Amino-phenyl)-piperidine-1-carboxylic acid tert butyl ester

데이터베이스 식별자

CAS: 170011-57-1
PubChem CID: 21940085
DTXSID: DTXSID50620434
EC Number: 674-594-0

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 20
형식 전하: 0
복잡도: 322

물리화학적 성질

녹는점: 119 °C · 119 °C
끓는 점: 412.7 · 412.7±45.0 °C(Predicted)
밀도: 1.1 · 1.100±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.97 · 4.97±0.10(Predicted)
색상: White to Yellow to Green
InChI: InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-8-13(9-11-18)12-4-6-14(17)7-5-12/h4-7,13H,8-11,17H2,1-3H3
InChIKey: YRLQFRXDWBFGMK-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(C2=CC=C(N)C=C2)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 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.