Basic information
- CAS
7192-49-6- Standard SMILES
C=CCOc1c(CCC)cc(C[NH3+])cc1CCC.O=C([O-])CC(CO)(C(=O)O)C(=O)O- InChIKey
JENJZEFFFPBXOG-UHFFFAOYSA-N- Molecular formula
- C22H33NO8
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.22061701
Names & identifiers
- Preferred name
- Benzylamine, 4-(allyloxy)-3,5-dipropyl-, citrate
- IUPAC
- 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;(4-prop-2-enoxy-3,5-dipropylphenyl)methylazanium
Names & synonyms
NSC 379514-Allyloxy-3,5-dipropylbenzylamine citrateBENZYLAMINE, 4-(ALLYLOXY)-3,5-DIPROPYL-, CITRATERefChem:3287747192-49-6
Database identifiers
- CAS
7192-49-6- PubChem CID
- 23587
Properties
Computed structural properties
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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