CAS 579474-48-9 tert-butyl N-(2-amino-4-(trifluoromethyl)phenyl)carbamate (HCID 24689211)

基本情報

CAS: 579474-48-9
標準SMILES: CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1N
InChIKey: SAHCRZHMDWJEMU-UHFFFAOYSA-N
分子式: C12H15F3N2O2
平均分子量: 276.25 g/mol
単同位体質量: 276.10856238

名称と識別子

優先名称: tert-butyl N-(2-amino-4-(trifluoromethyl)phenyl)carbamate
IUPAC: tert-butyl N-[2-amino-4-(trifluoromethyl)phenyl]carbamate
英語名: (2-Amino-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester
分子式: C12H15F3N2O2
分子量: 276.25

名称と別名

tert-butyl N-[2-amino-4-(trifluoromethyl)phenyl]carbamatetert-butyl N-(2-amino-4-(trifluoromethyl)phenyl)carbamateRefChem:895637830-526-3579474-48-9tert-Butyl (2-amino-4-(trifluoromethyl)phenyl)carbamate(2-Amino-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterMFCD09701248tert-Butyl [2-amino-4-(trifluoromethyl)phenyl]carbamateSCHEMBL272400SCHEMBL29430810DTXSID90640717

名称をさらに表示

(2-amino-4-(trifluoromethyl)phenyl)aminomacetic acidtertbutyl esterCarbamic acid, N-[2-amino-4-(trifluoromethyl)phenyl]-, 1,1-dimethylethyl ester

AKOS000169251SB37773BS-44338DB-309701CS-0249507EN300-43723F880732-Amino-1-(Boc-amino)-4-trifluoromethylbenzene

データベース識別子

CAS: 579474-48-9
PubChem CID: 24689211
DTXSID: DTXSID90640717
EC Number

物性

構造計算による物性

XLogP: 2.7
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: 3
重原子数: 19
形式電荷: 0
複雑度: 326

物理化学的性質

沸点: 290.1 · 290.1±40.0 °C(Predicted)
比重(密度): 1.289 · 1.289±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.75 · 12.75±0.70(Predicted)

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.