Basic information
- CAS
54785-33-0- Standard SMILES
CC(C[NH3+])c1ccc2oc(-c3ccccc3)nc2c1.O=C([O-])CCC(=O)O- InChIKey
HEOJWSWARCJDBI-UHFFFAOYSA-N- Molecular formula
- C20H22N2O5
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.15287181
Names & identifiers
- Preferred name
- Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)
- IUPAC
- 4-hydroxy-4-oxobutanoate;2-(2-phenyl-1,3-benzoxazol-5-yl)propylazanium
Names & synonyms
54785-33-0DTXSID00970113Butanedioic acid--2-(2-phenyl-1,3-benzoxazol-5-yl)propan-1-amine (1/1)RefChem:1080281DTXCID9013976512-Phenyl-beta-methyl-5-benzoxazoleethylamine hydrogen succinatePropylamine, 2-(2-phenylbenzoxazol-5-yl)-, hydrogen succinate5-BENZOXAZOLEETHYLAMINE, beta-METHYL-2-PHENYL-, HYDROGEN SUCCINATE
Database identifiers
- CAS
54785-33-0- PubChem CID
- 41176
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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