2,8-Diaminononanedioic acid
Basic information
- CAS
98951-66-7- Standard SMILES
NC(CCCCCC(N)C(=O)O)C(=O)O- InChIKey
CZBYDJTWLGVCEV-UHFFFAOYSA-N- Molecular formula
- C9H18N2O4
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.12665706
Names & identifiers
- Preferred name
- 2,8-Diaminononanedioic acid
- IUPAC
- 2,8-diaminononanedioic acid
- English name
- DL-2,8-Diaminononanedioic acid
- Molecular formula
- C9H18N2O4
- Molecular weight
- 218.25
Names & synonyms
2,8-Diaminononanedioic acid98951-66-7nonanedioic acid, 2,8-diamino-2,8-bis(azaniumyl)nonanedioateNSC1333922,8-DiaminononanedioicacidSCHEMBL4848672DTXSID20299873STK679938AKOS001740333AKOS016843226NSC-133392
Show more names
2,8-diamino-nonanedioic acidDL-2,8-Diaminononanedioic acid
ST4080922CS-0335802
Database identifiers
- CAS
98951-66-7- PubChem CID
- 280969
- DTXSID
DTXSID20299873
Properties
Computed structural properties
- XLogP
- -5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 360 °C · >360 °C
- Boiling point
- 442.6 · 442.6±45.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.24 · 2.24±0.24(Predicted)
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Related reactions
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Compound notes
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