3-[(4-nonylphenyl)methylamino]propylphosphonic Acid

HCID 11725751CAS 569684-50-0

基本情報

標準SMILES: CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1
InChIKey: IYOGKTIRIRHPOH-UHFFFAOYSA-N
分子式: C19H34NO3P
平均分子量: 355.5 g/mol
単同位体質量: 355.22763058

名称と識別子

優先名称: 3-[(4-nonylphenyl)methylamino]propylphosphonic Acid
IUPAC: 3-[(4-nonylphenyl)methylamino]propylphosphonic acid

名称と別名

569684-50-0WFX1F20RS93-[(4-nonylphenyl)methylamino]propylphosphonic AcidUNII-WFX1F20RS9CHEMBL1188603-((4-Nonylphenyl)methylamino)propylphosphonic acidP-(3-(((4-Nonylphenyl)methyl)amino)propyl)phosphonic acidPhosphonic acid, P-(3-(((4-nonylphenyl)methyl)amino)propyl)-[3-(4-Nonyl-benzylamino)-propyl]-phosphonic acidSCHEMBL3846202DTXSID10471181IYOGKTIRIRHPOH-UHFFFAOYSA-N

名称をさらに表示

BDBM50148394PD178564N-(4-Nonylbenzyl)-3-aminopropylphosphonic acid(3-{[(4-Nonylphenyl)methyl]amino}propyl)phosphonic acid

データベース識別子

CAS: 569684-50-0
PubChem CID: 11725751
DTXSID: DTXSID10471181
ChEMBL: CHEMBL118860
UNII: WFX1F20RS9

物性

構造計算による物性

XLogP: 2.1
極性表面積: 69.6 Å²
水素結合供与体数: 3
水素結合受容体数: 4
回転可能結合数: 14
重原子数: 24
形式電荷: 0
複雑度: 338