tert-butyl N-(3-methylidenecyclobutyl)carbamate

HCID 28875369

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基本情報

CAS: 130369-04-9
標準SMILES: C=C1CC(NC(=O)OC(C)(C)C)C1
InChIKey: UKVCZCZNTKQCCW-UHFFFAOYSA-N
分子式: C10H17NO2
平均分子量: 183.25 g/mol
単同位体質量: 183.12592878

名称と識別子

優先名称: tert-butyl N-(3-methylidenecyclobutyl)carbamate
IUPAC: tert-butyl N-(3-methylidenecyclobutyl)carbamate
英語名: Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI)
分子式: C10H17NO2
分子量: 183.25

名称と別名

tert-butyl N-(3-methylidenecyclobutyl)carbamateRefChem:896001694-368-5130369-04-9tert-Butyl (3-methylenecyclobutyl)carbamatetert-Butyl 3-MethylenecyclobutylcarbamateMFCD09991757(3-Methylenecyclobutyl)carbamic acidtert-butyl ester(3-Methylenecyclobutyl)carbamic acid tert butyl estertert-butyl (3-methylidenecyclobutyl)carbamateCarbaMic acid, N-(3-Methylenecyclobutyl)-, 1,1-diMethylethyl estertert-butyl N-(3-methylenecyclobutyl)carbamate

名称をさらに表示

tert-Butyl (3-methylenecyclobutyl)1-(Boc-amino)-3-methylenecyclobutane 95%1,1-Dimethylethyl N-(3-methylenecyclobutyl)carbamatetert-butyl N-(3-methylenecyclobutyl)carbamate - [B82243](3-Methylenecyclobutyl)carbamic acid 1,1-dimethylethyl ester

Carbamic acid, (3-methylenecyclobutyl)-, 1,1-dimethylethyl ester (9CI)(3-Methylenecyclobutyl)carbamic acid tert-butyl esterN-Boc-3-methylene-cyclobutanamine1-(Boc-amino)-3-methylenecyclobutane(3-Methylene-cyclobutyl)-carbamic acid tert-butyl esterSCHEMBL571098N-Boc-3-methylenecyclobutanamineDTXSID20651735

データベース識別子

CAS: 130369-04-9
PubChem CID: 28875369
DTXSID: DTXSID20651735
EC Number: 694-368-5

物性

構造計算による物性

XLogP: 1.8
極性表面積: 38.3 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 13
形式電荷: 0
複雑度: 220

物理化学的性質

融点: 95 · 95-100°C
沸点: 263.8 · 263.8±20.0 °C(Predicted)
比重(密度): 1 · 1.00±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Storage temp. 2-8°C
酸解離定数(Pka): 12.22 · 12.22±0.20(Predicted)
外見: solid
InChI: 1S/C10H17NO2/c1-7-5-8(6-7)11-9(12)13-10(2,3)4/h8H,1,5-6H2,2-4H3,(H,11,12)
InChIKey: UKVCZCZNTKQCCW-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)NC1CC(=C)C1