benzylhydrazine

• ChemBase ID: 161616
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1cccc(c1)CNN
• Canonical SMILES: NNCc1ccccc1
• InChI: InChI=1S/C7H10N2/c8-9-6-7-4-2-1-3-5-7/h1-5,9H,6,8H2
• InChIKey: NHOWLEZFTHYCTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzylhydrazine
• IUPAC Traditional name: benzylhydrazine
• Synonyms: 1-Benzylhydrazine Hydrochloride; Benzylhydrazine Hydrochloride; N-Benzylhydrazine Hydrochloride; (Phenylmethyl)hydrazine Hydrochloride; Benzylhydrazine Monohydrochloride; Z 102; Benzylhydrazine Hydrochloride; benzylhydrazine

Database IDs

• CAS Number: 555-96-4; 1073-62-7
• MDL Number: MFCD00869518
• PubChem SID: 162255751
• PubChem CID: 11157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.7029166
• LogD (pH = 7.4): 0.9109416
• Log P: 0.91435885
• Molar Refractivity: 49.5083 cm^3
• Polarizability: 15.05166 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: Pale Yellow Solid
• Melting Point: 104-107°C; 143 - 145°C
• Hydrophobicity(logP): 0.704

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - B279880

Benzylhydrazine is an arylhydrazine derivative with mutagenic properties.

REFERENCES

• Freese, E. et al.: Mutat. Res., 5, 343 (1968)
• Shimizu, H. et al.: Nipp. Eis. Zas., 33, 474 (1968)
• Bolton, G.C. et al.: Drg Metab. Disp., 7, 388 (1968)