4-(hydrazinylmethyl)-2-methylpyridine

• ChemBase ID: 52706
• Molecular Formular: C7H11N3
• Molecular Mass: 137.18234
• Monoisotopic Mass: 137.09529737
• SMILES: c1c(nccc1CNN)C
• Canonical SMILES: NNCc1ccnc(c1)C
• InChI: InChI=1S/C7H11N3/c1-6-4-7(5-10-8)2-3-9-6/h2-4,10H,5,8H2,1H3
• InChIKey: RIKMSCWREYJNKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(hydrazinylmethyl)-2-methylpyridine
• IUPAC Traditional name: 4-(hydrazinylmethyl)-2-methylpyridine
• Synonyms: 4-(Hydrazinylmethyl)-2-methylpyridine

Database IDs

• CAS Number: 1223748-30-8
• MDL Number: MFCD14636169
• PubChem SID: 162057469
• PubChem CID: 46835712

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.36712816
• LogD (pH = 7.4): -0.17492673
• Log P: -0.17194343
• Molar Refractivity: 51.9429 cm^3
• Polarizability: 15.888008 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%