Basic information
- CAS
61035-86-7- Standard SMILES
COc1ccc(CCN)cc1.N[C@@H](CCC(=O)O)C(=O)O- InChIKey
JYZHTUKGXSBYRD-HVDRVSQOSA-N- Molecular formula
- C14H22N2O5
- Average molar mass
- 298.33 g/mol
- Monoisotopic mass
- 298.15287181
Names & identifiers
- Preferred name
- Benzeneethanamine, 4-methoxy-, L-glutamate (1:1)
- IUPAC
- (2S)-2-aminopentanedioic acid;2-(4-methoxyphenyl)ethanamine
Names & synonyms
Benzeneethanamine, 4-methoxy-, L-glutamate (1:1)4-Methoxybenzeneethanamine L-glutamate (1:1)61035-86-7DTXSID20209912RefChem:324607DTXCID701324036V24PEA9A3Benzeneethanamine, 4-methoxy-, L-glutamateL-Glutamic acid compd. with 4-methoxybenzeneethanamineL-Glutamic acid--2-(4-methoxyphenyl)ethan-1-amine (1/1)
Database identifiers
- CAS
61035-86-7- PubChem CID
- 3045698
- DTXSID
DTXSID20209912- UNII
- 6V24PEA9A3
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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