Basic information
- CAS
42112-06-1- Standard SMILES
CC(C)(C[NH3+])c1ccc(N2CCCCC2)cc1.O=C([O-])CCC(=O)O- InChIKey
VXQPMONONFAMAS-UHFFFAOYSA-N- Molecular formula
- C19H30N2O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.22055744
Names & identifiers
- Preferred name
- Isobutylamine, 2-(4-piperidinophenyl)-, succinate
- IUPAC
- 4-hydroxy-4-oxobutanoate;[2-methyl-2-(4-piperidin-1-ylphenyl)propyl]azanium
Names & synonyms
2-(4-Piperidinophenyl)isobutylamine succinateISOBUTYLAMINE, 2-(4-PIPERIDINOPHENYL)-, SUCCINATE42112-06-1DTXSID601949542,2-Dimethyl-2-(4-piperidinophenyl)ethylamine, succinic acid saltRefChem:349567DTXCID001174452-methyl-2-[4-(piperidin-1-yl)phenyl]propan-1-aminium 3-carboxypropanoate
Database identifiers
- CAS
42112-06-1- PubChem CID
- 39137
- DTXSID
DTXSID60194954
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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