(2-methyloxan-4-yl)hydrazine hydrochloride

• ChemBase ID: 248452
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: O1C(CC(NN)CC1)C.Cl
• Canonical SMILES: NNC1CCOC(C1)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-5-4-6(8-7)2-3-9-5;/h5-6,8H,2-4,7H2,1H3;1H
• InChIKey: JZVZKOPTZZYFAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methyloxan-4-yl)hydrazine hydrochloride
• IUPAC Traditional name: (2-methyloxan-4-yl)hydrazine hydrochloride
• Synonyms: (2-methyloxan-4-yl)hydrazine hydrochloride

Database IDs

• PubChem SID: 164304362
• PubChem CID: 23123997

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9177304
• LogD (pH = 7.4): -0.4434756
• Log P: -0.43235317
• Molar Refractivity: 47.79 cm^3
• Polarizability: 14.598005 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 156 - 158°C
• Hydrophobicity(logP): -0.913

Product Information

• Purity: 95%