(3-tert-butylphenyl)hydrazine hydrochloride

• ChemBase ID: 73523
• Molecular Formular: C10H17ClN2
• Molecular Mass: 200.70838
• Monoisotopic Mass: 200.10802623
• SMILES: N(c1cc(ccc1)C(C)(C)C)N.Cl
• Canonical SMILES: NNc1cccc(c1)C(C)(C)C.Cl
• InChI: InChI=1S/C10H16N2.ClH/c1-10(2,3)8-5-4-6-9(7-8)12-11;/h4-7,12H,11H2,1-3H3;1H
• InChIKey: XKLKKAKHNGXDPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-tert-butylphenyl)hydrazine hydrochloride
• IUPAC Traditional name: (3-tert-butylphenyl)hydrazine hydrochloride
• Synonyms: 1-(tert-Butyl)-3-hydrazinobenzene; 3-(tert-Butyl)phenylhydrazine hydrochloride; 1-[3-(tert-butyl)phenyl]hydrazine hydrochloride

Database IDs

• CAS Number: 306937-27-9
• MDL Number: MFCD00833404
• PubChem SID: 162038442
• PubChem CID: 2801514

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.671476
• LogD (pH = 7.4): 2.9059606
• Log P: 2.9099448
• Molar Refractivity: 54.4306 cm^3
• Polarizability: 20.209278 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-148°C

Safety Information

• Storage Warning: Toxic/Harmful/Keep Cold/Store under Argon

Product Information

• Purity: Tech