methyl 2-[(hydrazinecarbonyl)amino]acetate hydrochloride

• ChemBase ID: 248312
• Molecular Formular: C4H10ClN3O3
• Molecular Mass: 183.5935
• Monoisotopic Mass: 183.04106888
• SMILES: C(=O)(NCC(=O)OC)NN.Cl
• Canonical SMILES: NNC(=O)NCC(=O)OC.Cl
• InChI: InChI=1S/C4H9N3O3.ClH/c1-10-3(8)2-6-4(9)7-5;/h2,5H2,1H3,(H2,6,7,9);1H
• InChIKey: CZNPWKAKPLAREO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[(hydrazinecarbonyl)amino]acetate hydrochloride
• IUPAC Traditional name: methyl 2-[(hydrazinecarbonyl)amino]acetate hydrochloride
• Synonyms: methyl 2-[(hydrazinecarbonyl)amino]acetate hydrochloride

Database IDs

• PubChem SID: 164304222
• PubChem CID: 71758443

CALCULATED PROPERTIES

• Acid pKa: 12.339084
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.8143967
• LogD (pH = 7.4): -1.8127818
• Log P: -1.8127562
• Molar Refractivity: 33.3771 cm^3
• Polarizability: 12.821505 Å^3
• Polar Surface Area: 93.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): -1.741

Product Information

• Purity: 95%