tert-butyl N-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate

HCID 43094068

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基本情報

CAS: 1036474-23-3
標準SMILES: CC(C)(C)OC(=O)NC(CN)c1cccc(C(F)(F)F)c1
InChIKey: USUBNRBRRIRPTA-UHFFFAOYSA-N
分子式: C14H19F3N2O2
平均分子量: 304.31 g/mol

名称と識別子

優先名称: tert-butyl N-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate
IUPAC: tert-butyl N-[2-amino-1-[3-(trifluoromethyl)phenyl]ethyl]carbamate

名称と別名

1036474-23-3tert-butyl n-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamatetert-butyl N-(2-amino-1-(3-(trifluoromethyl)phenyl)ethyl)carbamateRefChem:895593849-959-4TERT-BUTYL (2-AMINO-1-(3-(TRIFLUOROMETHYL)PHENYL)ETHYL)CARBAMATEtert-Butyl {2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamateSCHEMBL10216739AKOS009153736AT27242EN300-1881072tert-butylN-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate

データベース識別子

CAS: 1036474-23-3
PubChem CID: 43094068
EC Number: 849-959-4

物性

構造計算による物性

XLogP: 2.4
極性表面積: 64.4 Å²
水素結合供与体数: 2
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 21
形式電荷: 0
複雑度: 353

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.