1-[2-Amino-1-(4-amino-phenyl)-ethyl]-pyrrolidine-3-carboxylic acid
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Basic information
- CAS
886364-09-6- Standard SMILES
NCC(c1ccc(N)cc1)N1CCC(C(=O)O)C1- InChIKey
JBCILYOMXFLHPE-UHFFFAOYSA-N- Molecular formula
- C13H19N3O2
- Average molar mass
- 249.31 g/mol
- Monoisotopic mass
- 249.14772686
Names & identifiers
- Preferred name
- 1-[2-Amino-1-(4-amino-phenyl)-ethyl]-pyrrolidine-3-carboxylic acid
- IUPAC
- 1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
- English name
- 1-[2-AMINO-1-(4-AMINO-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLIC ACID
- Molecular formula
- C13H19N3O2
- Molecular weight
- 249.31
Names & synonyms
886364-09-61-[2-amino-1-(4-amino-phenyl)-ethyl]-pyrrolidine-3-carboxylic acid1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid1-[2-Amino-1-(4-amino-phenyl)-ethyl]-pyrrolidine-3-carboxylicacid1-(2-amino-1-(4-aminophenyl)ethyl)pyrrolidine-3-carboxylic acidDTXSID60661393AB323151-[2-Amino-1-(4-aminophenyl)ethyl]pyrrolidine -3-carboxylic acid3-Pyrrolidinecarboxylic acid, 1-[2-amino-1-(4-aminophenyl)ethyl]-
Database identifiers
- CAS
886364-09-6- PubChem CID
- 44890902
- DTXSID
DTXSID60661393
Properties
Computed structural propertiesFilling in
- XLogP
- -2.4
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Boiling point
- 467.5 · 467.5±45.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- pka
- 3.76 · 3.76±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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