[3-(propan-2-yl)phenyl]hydrazine hydrochloride

• ChemBase ID: 74137
• Molecular Formular: C9H15ClN2
• Molecular Mass: 186.6818
• Monoisotopic Mass: 186.09237617
• SMILES: N(c1cc(ccc1)C(C)C)N.Cl
• Canonical SMILES: NNc1cccc(c1)C(C)C.Cl
• InChI: InChI=1S/C9H14N2.ClH/c1-7(2)8-4-3-5-9(6-8)11-10;/h3-7,11H,10H2,1-2H3;1H
• InChIKey: BYJCRUCIXAVEBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(propan-2-yl)phenyl]hydrazine hydrochloride
• IUPAC Traditional name: (3-isopropylphenyl)hydrazine hydrochloride
• Synonyms: 3-Isopropylphenylhydrazine hydrochloride

Database IDs

• CAS Number: 1030288-67-5
• MDL Number: MFCD01073584
• PubChem SID: 162039056
• PubChem CID: 44119127

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3683116
• LogD (pH = 7.4): 2.6058457
• Log P: 2.6098976
• Molar Refractivity: 49.9555 cm^3
• Polarizability: 18.36348 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 138-140°C

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 98%