Butyl 2,3-diaminopropanoate
Basic information
- CAS
7464-90-6- Standard SMILES
CCCCOC(=O)C(N)CN- InChIKey
WLGMSMYXTBEVNP-UHFFFAOYSA-N- Molecular formula
- C7H16N2O2
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.12117776
Names & identifiers
- Preferred name
- Butyl 2,3-diaminopropanoate
- IUPAC
- butyl 2,3-diaminopropanoate
Names & synonyms
butyl 2,3-diaminopropanoate104527-41-57464-90-6Butyl 3-aminoalaninateSCHEMBL855003DTXSID90331178
Database identifiers
- CAS
7464-90-6- PubChem CID
- 436155
- DTXSID
DTXSID90331178
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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