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

• ChemBase ID: 15021
• Molecular Formular: C9H17Cl2N3
• Molecular Mass: 238.15738
• Monoisotopic Mass: 237.07995292
• SMILES: c1ccc(c(c1)CNN)N(C)C.Cl.Cl
• Canonical SMILES: NNCc1ccccc1N(C)C.Cl.Cl
• InChI: InChI=1S/C9H15N3.2ClH/c1-12(2)9-6-4-3-5-8(9)7-11-10;;/h3-6,11H,7,10H2,1-2H3;2*1H
• InChIKey: QSZBUWBTFCPAJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride
• IUPAC Traditional name: 2-(hydrazinylmethyl)-N,N-dimethylaniline dihydrochloride
• Synonyms: 2-Dimethylaminobenzylhydrazine dihydrochloride; N,N-Dimethyl-2-(hydrazinomethyl)aniline dihydrochloride; 2-(Dimethylamino)benzylhydrazine dihydrochloride

Database IDs

• CAS Number: 849021-12-1
• MDL Number: MFCD06245511
• PubChem SID: 160978328
• PubChem CID: 2760987

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.8200375
• LogD (pH = 7.4): 1.0191976
• Log P: 1.0224026
• Molar Refractivity: 63.9369 cm^3
• Polarizability: 19.860262 Å^3
• Polar Surface Area: 41.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >165°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%