TERT-BUTYL4-아미노-3-플루오로피페리딘-1-카복실레이트

1-Boc-3-fluoro-4-aminopiperidine

HCID 21948952

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 934536-10-4
표준 SMILES: CC(C)(C)OC(=O)N1CCC(N)C(F)C1
InChIKey: ZQRYPCAUVKVMLZ-UHFFFAOYSA-N
분자식: C10H19FN2O2
평균 분자량: 218.27 g/mol

개요

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이름 및 식별자

우선 이름: 1-Boc-3-fluoro-4-aminopiperidine
IUPAC: tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate
현지명: TERT-BUTYL4-아미노-3-플루오로피페리딘-1-카복실레이트
영어명: tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate
분자식: C10H19FN2O2
분자량: 218.27

이름 및 동의어

934536-10-41-BOC-3-FLUORO-4-AMINOPIPERIDINERefChem:430079804-882-5tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylate1-Boc-4-Amino-3-fluoropiperidineMFCD105665564-Amino-1-Boc-3-fluoropiperidineTERT-BUTYL4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATE1-Boc-4-amino-3-fluoro-piperidine907544-16-51-(tert-Butyloxycarbonyl)-3-Fluoro-4-aminopiperidine

이름 더 보기

TERT-BUTYL4-아미노-3-플루오로피페리딘-1-카복실레이트EOS-615471,1-Dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylate4-amino-3-fluoro-1-Piperidinecarboxylic acid tert-butyl ester1-Piperidinecarboxylic acid, 4-aMino-3-fluoro-, 1,1-diMethylethyl ester

4-AMINO-3-FLUORO-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-Butyl 4-amino-3-fluoro-piperidine-1-carboxylatePB31478CIS-4-AMINO-1-BOC-3-FLUOROPIPERIDINE4-Amino-1-Boc-3-fluoropiperidine;1-Boc-4-Amino-3-fluoropiperidinecis-1,1-dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylateSY099035(3S,4S)-1-Boc-3-fluoropiperidin-4-amine

데이터베이스 식별자

CAS: 934536-10-4
PubChem CID: 21948952
EC Number: 804-882-5

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 240

물리화학적 성질

끓는 점: 285.6 · 285.6±40.0 °C(Predicted)
밀도: 1.11 · 1.11±0.1 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.88 · 8.88±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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.