Benzyl trans-4-(hydroxymethyl)cyclohexylcarbamate

HCID 21882597

基本情報

標準SMILES: O=C(NC1CCC(CO)CC1)OCc1ccccc1
InChIKey: XCUWJTPPKGZEAN-UHFFFAOYSA-N
分子式: C15H21NO3
平均分子量: 263.33 g/mol
単同位体質量: 263.15214353

名称と識別子

優先名称: Benzyl trans-4-(hydroxymethyl)cyclohexylcarbamate
IUPAC: benzyl N-[4-(hydroxymethyl)cyclohexyl]carbamate

名称と別名

1256276-45-5BENZYL TRANS-4-(HYDROXYMETHYL)CYCLOHEXYLCARBAMATEBenzyl (cis-4-(hydroxymethyl)cyclohexyl)carbamatebenzyl N-[4-(hydroxymethyl)cyclohexyl]carbamate1256276-47-7cis-Benzyl-4-hydroxycyclohexyl)methylcarbamateBenzyl ((1s,4s)-4-(hydroxymethyl)cyclohexyl)carbamateMFCD26131316Benzyl (trans-4-(hydroxymethyl)cyclohexyl)carbamateBENZYL(1S,4S)-4-(HYDROXYMETHYL)CYCLOHEXYLCARBAMATE1425334-64-0SCHEMBL856165

名称をさらに表示

SCHEMBL856166SCHEMBL2681634benzyl N-[(1s,4s)-4-(hydroxymethyl)cyclohexyl]carbamateXCUWJTPPKGZEAN-MQMHXKEQSA-NXCUWJTPPKGZEAN-XBXGTLAGSA-Ncis-4-[(Cbz-amino)methyl]cyclohexanolBS-46430SY284634

データベース識別子

PubChem CID: 21882597

物性

構造計算による物性

XLogP: 2.3
極性表面積: 58.6 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 5
重原子数: 19
形式電荷: 0
複雑度: 269