(2S)-2,5-diaminopentanoic acid dihydrochloride

• ChemBase ID: 102163
• Molecular Formular: C5H14Cl2N2O2
• Molecular Mass: 205.08286
• Monoisotopic Mass: 204.04323306
• SMILES: Cl.Cl.NCCC[C@H](N)C(=O)O
• Canonical SMILES: NCCC[C@@H](C(=O)O)N.Cl.Cl
• InChI: InChI=1S/C5H12N2O2.2ClH/c6-3-1-2-4(7)5(8)9;;/h4H,1-3,6-7H2,(H,8,9);2*1H/t4-;;/m0../s1
• InChIKey: HGBAVEGDXFHRQP-FHNDMYTFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2,5-diaminopentanoic acid dihydrochloride
• IUPAC Traditional name: ornithine dihydrochloride
• Synonyms: L-2,5-Diaminopentanoic acid; L-ORNITHINE DIHYDROCHLORIDE

Database IDs

• CAS Number: 6211-16-1
• EC Number: 228-277-5
• PubChem SID: 162088637
• PubChem CID: 80341

CALCULATED PROPERTIES

• Acid pKa: 2.6664226
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.399376
• LogD (pH = 7.4): -5.4160175
• Log P: -3.6582875
• Molar Refractivity: 33.2085 cm^3
• Polarizability: 13.533871 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 200°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)

Product Information

• Purity: 98-99%

DETAILS

MP Biomedicals - 02100419

Dihydrochloride
Crystalline
Purity: 98-99%