Tert-butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylate

HCID 11210451

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基本情報

CAS: 443998-65-0
標準SMILES: CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)cc2)CC1
InChIKey: ZDCRNXMZSKCKRF-UHFFFAOYSA-N
分子式: C16H23BrN2O2
平均分子量: 355.27 g/mol
単同位体質量: 354.09429008

名称と識別子

優先名称: Tert-butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(4-bromoanilino)piperidine-1-carboxylate
英語名: 1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE
分子式: C16H23BrN2O2
分子量: 355.27

名称と別名

tert-Butyl 4-((4-bromophenyl)amino)piperidine-1-carboxylateTert-butyl 4-[(4-bromophenyl)amino]piperidine-1-carboxylateRefChem:893544965-400-8443998-65-01-BOC-4-(4-bromo-phenylamino)-piperidine4-(4-BROMO-PHENYLAMINO)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-butyl 4-(4-bromoanilino)piperidine-1-carboxylateMFCD07785997SCHEMBL28737274-(4-bromophenyl)amino-1-(tert-butoxycarbonyl)piperidineDTXSID80458909

名称をさらに表示

4-(4-bromophenyl) aminoHot selling 1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE1-Piperidinecarboxylic acid, 4-[(4-bromophenyl)amino]-,1,1-dimethylethyl esterEstrogenic Hormoneert-butyl4-(4-bromoanilino)piperidine-1-carboxylate1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE white powder1-BOC-4-(4-BROMO-PHENYLAMINO)-PIPERIDINE CAS 443998-65-0

ZDCRNXMZSKCKRF-UHFFFAOYSA-NAKOS009845449SB37212SY184309DB-120196CS-0216885N-(4-Bromophenyl)-1-Boc-piperidin-4-amineEN300-64107

データベース識別子

CAS: 443998-65-0
PubChem CID: 11210451
DTXSID: DTXSID80458909
EC Number: 965-400-8

物性

構造計算による物性

XLogP: 4
極性表面積: 41.6 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 21
形式電荷: 0
複雑度: 341

物理化学的性質

沸点: 439.1 · 439.1±40.0 °C(Predicted)
比重(密度): 1.336 · 1.336±0.06 g/cm3(Predicted)
酸解離定数(Pka): 4.18 · 4.18±0.20(Predicted)
InChI: InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-8-14(9-11-19)18-13-6-4-12(17)5-7-13/h4-7,14,18H,8-11H2,1-3H3
InChIKey: ZDCRNXMZSKCKRF-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(NC2=CC=C(Br)C=C2)CC1

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

化学と産業

応用分野

使用1-Boc-4-(4-bromo-phenylamino)-piperidine is a piperidine organic compound, which can be used as a pharmaceutical intermediate for pharmaceutical research and scientific research.