4-(3-아미노-페닐)-피페리딘-1-카르복실산TERT-부틸에스테르

tert-Butyl 4-(3-aminophenyl)piperidine-1-carboxylate

HCID 22049268

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 387827-19-2
표준 SMILES: CC(C)(C)OC(=O)N1CCC(c2cccc(N)c2)CC1
InChIKey: INZSWUJHGMIAJM-UHFFFAOYSA-N
분자식: C16H24N2O2
평균 분자량: 276.37 g/mol
단동위원소 질량: 276.18377801

이름 및 식별자

우선 이름: tert-Butyl 4-(3-aminophenyl)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(3-aminophenyl)piperidine-1-carboxylate
현지명: 4-(3-아미노-페닐)-피페리딘-1-카르복실산TERT-부틸에스테르
영어명: 4-(3-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl ester
분자식: C16H24N2O2
분자량: 276.37

이름 및 동의어

387827-19-2tert-Butyl 4-(3-aminophenyl)piperidine-1-carboxylateDTXSID40622003RefChem:383482DTXCID005727571-BOC-4-(3-AMINOPHENYL)PIPERIDINE4-(3-Amino-phenyl)-piperidine-1-carboxylic acid tert-butyl esterMFCD037012483-(1-Boc-4-piperidyl)aniline1-Piperidinecarboxylic acid, 4-(3-aminophenyl)-, 1,1-dimethylethyl esterTert-butyl 4-[3-(amino)phenyl]-1-PiperidinecarboxylateSCHEMBL835855

이름 더 보기

4-(3-아미노-페닐)-피페리딘-1-카르복실산TERT-부틸에스테르N-BOC-4-(3-AMINOPHENYL) PIPERIDINE4-(3-aminophenyl)piperidine-1-carboxylatetert-Butyl 4-(3-aminophenyl)piperidin-1-carboxylate1,1-Dimethylethyl 4-(3-aminophenyl)-1-piperidinecarboxylate

tert-Butyl4-(3-aminophenyl)piperidine-1-carboxylatetert-Butyl 4-(3-aminophenyl)SCHEMBL30376009INZSWUJHGMIAJM-UHFFFAOYSA-NMQA82719AKOS016004569PB20829865861-37-6

데이터베이스 식별자

CAS: 387827-19-2
PubChem CID: 22049268
DTXSID: DTXSID40622003
EC Number: 982-975-0

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: 330

물리화학적 성질

끓는 점: 413.2 · 413.2±45.0 °C(Predicted)
밀도: 1.1 · 1.100±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 4.6 · 4.60±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.