Completing data — usually done within a minute
Basic information
- CAS
569684-50-0- Standard SMILES
CCCCCCCCCc1ccc(CNCCCP(=O)(O)O)cc1- InChIKey
IYOGKTIRIRHPOH-UHFFFAOYSA-N- Molecular formula
- C19H34NO3P
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.22763058
Names & identifiers
- Preferred name
- 3-[(4-nonylphenyl)methylamino]propylphosphonic Acid
- IUPAC
- 3-[(4-nonylphenyl)methylamino]propylphosphonic acid
Names & synonyms
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
Show more names
BDBM50148394PD178564N-(4-Nonylbenzyl)-3-aminopropylphosphonic acid(3-{[(4-Nonylphenyl)methyl]amino}propyl)phosphonic acid
Database identifiers
- CAS
569684-50-0- PubChem CID
- 11725751
- DTXSID
DTXSID10471181- ChEMBL
CHEMBL118860- UNII
- WFX1F20RS9
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 338
Related reactions
1 records
Compound notes
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