(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)hydrazine

• ChemBase ID: 258038
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: O1c2c(OCC1CNN)cccc2
• Canonical SMILES: NNCC1COc2c(O1)cccc2
• InChI: InChI=1S/C9H12N2O2/c10-11-5-7-6-12-8-3-1-2-4-9(8)13-7/h1-4,7,11H,5-6,10H2
• InChIKey: LSSZWBZEBDGRPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)hydrazine
• IUPAC Traditional name: (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)hydrazine
• Synonyms: (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)hydrazine

Database IDs

• CAS Number: 1618-03-7
• MDL Number: MFCD09040671
• PubChem SID: 164313948
• PubChem CID: 228868

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.34067416
• LogD (pH = 7.4): 0.56083333
• Log P: 0.5645062
• Molar Refractivity: 59.6123 cm^3
• Polarizability: 19.33194 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.885

Product Information

• Purity: 95%