1,2-Ethanediyl bis(3-aminobut-2-enoate)
Basic information
- CAS
14205-40-4- Standard SMILES
CC(N)=CC(=O)OCCOC(=O)C=C(C)N- InChIKey
XKZRFLCEABGXJI-UHFFFAOYSA-N- Molecular formula
- C10H16N2O4
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.111007
Names & identifiers
- Preferred name
- 1,2-Ethanediyl bis(3-aminobut-2-enoate)
- IUPAC
- 2-(3-aminobut-2-enoyloxy)ethyl 3-aminobut-2-enoate
- English name
- 1,2-ethanediyl bis(3-aminobut-2-enoate)
- Molecular formula
- C10H16N2O4
- Molecular weight
- 228.25
Names & synonyms
14205-40-4EINECS 238-057-01,2-Ethanediyl bis(3-aminobut-2-enoate)DTXSID00931325XKZRFLCEABGXJI-UHFFFAOYSA-NEthane-1,2-diyl bis(3-aminobut-2-enoate)NS00051530Bis(3-amino-2-butenoic acid)1,2-ethanediyl ester
Database identifiers
- CAS
14205-40-4- PubChem CID
- 84254
- DTXSID
DTXSID00931325- EC Number
- 238-057-0
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Boiling point
- 405.349 · 405.349±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.509 · 5.509±0.70(predicted)
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Compound notes
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