oxan-4-ylhydrazine hydrochloride

• ChemBase ID: 237694
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: O1CCC(NN)CC1.Cl
• Canonical SMILES: NNC1CCOCC1.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c6-7-5-1-3-8-4-2-5;/h5,7H,1-4,6H2;1H
• InChIKey: CYCWBZMKKCTOGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxan-4-ylhydrazine hydrochloride; (oxan-4-yl)hydrazine hydrochloride
• IUPAC Traditional name: oxan-4-ylhydrazine hydrochloride
• Synonyms: oxan-4-ylhydrazine hydrochloride; 1-(Tetrahydro-2h-pyran-4-yl)hydrazine hydrochloride; (Tetrahydro-2H-pyran-4-yl)hydrazine hydrochloride

Database IDs

• CAS Number: 194543-22-1; 1187974-47-5
• MDL Number: MFCD09744677
• PubChem SID: 164293604
• PubChem CID: 17773358

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.356058
• LogD (pH = 7.4): -0.8599469
• Log P: -0.8489282
• Molar Refractivity: 43.3712 cm^3
• Polarizability: 12.759184 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.432

Product Information

• Purity: 95%; 95+%; 97%