tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate

HCID 11736104CAS 577691-56-6

기본 정보

표준 SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)[C@@H](F)C1
InChIKey: ZQRYPCAUVKVMLZ-JGVFFNPUSA-N
분자식: C10H19FN2O2
평균 분자량: 218.27 g/mol
단동위원소 질량: 218.14305602

이름 및 식별자

우선 이름: tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
IUPAC: tert-butyl (3S,4R)-4-amino-3-fluoropiperidine-1-carboxylate
영어명: tert-butyl (3S,4R)-4-aMino-3-fluoropiperidine-1-carboxylate
분자식: C10H19FN2O2
분자량: 218.27

이름 및 동의어

907544-20-1TERT-BUTYL (3S,4R)-4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATE577691-56-6tert-Butyl 3,4-cis-4-amino-3-fluoropiperidine-1-carboxylate racemateRefChem:891871824-643-9867-375-8(3S,4R)-tert-Butyl 4-amino-3-fluoropiperidine-1-carboxylateMFCD17976872cis-1,1-dimethylethyl 4-amino-3-fluoro-1-piperidinecarboxylatetert-butyl cis-4-amino-3-fluoropiperidine-1-carboxylateCIS-4-AMINO-1-BOC-3-FLUOROPIPERIDINE

이름 더 보기

Cis-(3S,4R)-1-Boc-4-amino-3-fluoropiperidinetert-Butyl (3S,4R)-4-Amino-3-fluoropiperidine-1-carboxylicCis (3s, 4r)-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate1-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, (3S,4R)-

(3S,4R)-1-Boc-3-fluoropiperidin-4-amine(3S,4R)-TERT-BUTYL 4-AMINO-3-FLUOROPIPERIDINE-1-CARBOXYLATE RACEMATEcis-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate(3S,4R)-t-Butyl 4-amino-3-fluoropiperidine-1-carboxylate(3S, 4R)-4-Amino-1-tert-butoxycarbonyl-3-fluoropiperidineTert-butyl (3S,4R)-4-amino-3-fluoro-piperidine-1-carboxylateSCHEMBL729549SCHEMBL30760963

데이터베이스 식별자

CAS: 577691-56-6、907544-20-1
PubChem CID: 11736104
EC Number: 824-643-9、867-375-8

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 · 2-8°C(protect from light)
산도 계수 (pKa): 8.88 · 8.88±0.40(Predicted)
InChI: InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8+/m0/s1
InChIKey: ZQRYPCAUVKVMLZ-JGVFFNPUSA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@@H](N)[C@@H](F)C1

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.

유해성 정보

Hazard Classes and Categories · 2건

Skin Corr. 1B (100%)

Acute Tox. 4 (100%)；Eye Irrit. 2 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H312

화학 및 산업

상·하류 제품 정보

상류 원료

1-Piperidinecarboxylic acid, 3-fluoro-4-[(phenyl-methyl)amino]- (3S,4R)- 1,1-dimethylethyl est tert-Butyl 4-[(Trimethylsilanyl)oxy]-3,6-dihydro-2H-pyridine-1-carboxylate TERT-부틸3-플루오로-4-옥소피페리딘-1-카르복실레이트 4-Amino-1-Boc-piperidine tert-butyl (3R,4R)-4-aMino-3-fluoropiperidine-1-carboxylate N-(tert-Butoxycarbonyl)-4-piperidone

공급사50 곳

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

北京依凯诺医药技术开发有限公司18518619637 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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