4,5-Diaminopentanoic acid
Basic information
- CAS
140465-14-1- Standard SMILES
NCC(N)CCC(=O)O- InChIKey
PQGAAJQIFBEYSA-UHFFFAOYSA-N- Molecular formula
- C5H12N2O2
- Average molar mass
- 132.16 g/mol
- Monoisotopic mass
- 132.08987763
Overview
structure given in first source; RN given is for parent cpd without isomeric designation
Names & identifiers
- Preferred name
- 4,5-Diaminopentanoic acid
- IUPAC
- 4,5-diaminopentanoic acid
- English name
- 4,5-diaminopentanoic acid
- Molecular formula
- C5H12N2O2
- Molecular weight
- 132.16
Names & synonyms
4,5-Diaminopentanoic acid99363-27-64,5-Diaminovaleric acidDTXSID50930848RefChem:96430DTXCID201359569Pentanoic acid, 4,5-diamino-4,5-DiaminopentanoicacidSCHEMBL729476Valeric acid, 4,5-diamino-AKOS006339496EN300-146297
Database identifiers
- CAS
140465-14-1、99363-27-6- PubChem CID
- 124572
- DTXSID
DTXSID50930848- Nikkaji
- J609.657C
Properties
Computed structural properties
- XLogP
- -4
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Boiling point
- 324.2 · 324.2±32.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- pka
- 4.21 · 4.21±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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