3-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride

• ChemBase ID: 29869
• Molecular Formular: C9H17Cl2N3
• Molecular Mass: 238.15738
• Monoisotopic Mass: 237.07995292
• SMILES: N(c1cc(ccc1)CNN)(C)C.Cl.Cl
• Canonical SMILES: NNCc1cccc(c1)N(C)C.Cl.Cl
• InChI: InChI=1S/C9H15N3.2ClH/c1-12(2)9-5-3-4-8(6-9)7-11-10;;/h3-6,11H,7,10H2,1-2H3;2*1H
• InChIKey: DCDSXTLQDKSIPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride
• IUPAC Traditional name: 3-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride
• Synonyms: 3-(Hydrazinomethyl)-N,N-dimethylaniline dihydrochloride

Database IDs

• MDL Number: MFCD11052317
• PubChem SID: 160993176
• PubChem CID: 43819156

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7430953
• LogD (pH = 7.4): 1.0179253
• Log P: 1.0224026
• Molar Refractivity: 63.9369 cm^3
• Polarizability: 19.860004 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT-HARMFUL
• TSCA Listed: false

Product Information

• Purity: 90+%