(2S)-5-amino-2-hydrazinylpentanoic acid hydrochloride

• ChemBase ID: 133256
• Molecular Formular: C5H14ClN3O2
• Molecular Mass: 183.63656
• Monoisotopic Mass: 183.07745438
• SMILES: C(C[C@@H](C(=O)O)NN)CN.Cl
• Canonical SMILES: NCCC[C@@H](C(=O)O)NN.Cl
• InChI: InChI=1S/C5H13N3O2.ClH/c6-3-1-2-4(8-7)5(9)10;/h4,8H,1-3,6-7H2,(H,9,10);1H/t4-;/m0./s1
• InChIKey: YGFMLJZTTRLMIA-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-5-amino-2-hydrazinylpentanoic acid hydrochloride
• IUPAC Traditional name: (2S)-5-amino-2-hydrazinylpentanoic acid hydrochloride
• Synonyms: 5-Amino-2-hydrazinopentanoic acid; α-Hydrazinoornithine hydrochloride

Database IDs

• CAS Number: 60733-16-6
• MDL Number: MFCD00058276
• PubChem SID: 162227533; 24895631
• PubChem CID: 16219479

CALCULATED PROPERTIES

• Acid pKa: 4.4275575
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -4.0512896
• LogD (pH = 7.4): -3.612097
• Log P: -3.607115
• Molar Refractivity: 48.1854 cm^3
• Polarizability: 14.872951 Å^3
• Polar Surface Area: 101.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Storage Temperature: -20°C

Product Information

• Purity: ~90%