(3-amino-1-phenylpropyl)dimethylamine dihydrobromide

• ChemBase ID: 270209
• Molecular Formular: C11H20Br2N2
• Molecular Mass: 340.0979
• Monoisotopic Mass: 337.99932265
• SMILES: C(N(C)C)(c1ccccc1)CCN.Br.Br
• Canonical SMILES: NCCC(c1ccccc1)N(C)C.Br.Br
• InChI: InChI=1S/C11H18N2.2BrH/c1-13(2)11(8-9-12)10-6-4-3-5-7-10;;/h3-7,11H,8-9,12H2,1-2H3;2*1H
• InChIKey: MQCURSYRCGFTGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-amino-1-phenylpropyl)dimethylamine dihydrobromide
• IUPAC Traditional name: (3-amino-1-phenylpropyl)dimethylamine dihydrobromide
• Synonyms: (3-amino-1-phenylpropyl)dimethylamine dihydrobromide

Database IDs

• MDL Number: MFCD17480363
• PubChem SID: 164326119
• PubChem CID: 50987352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.469577
• LogD (pH = 7.4): -2.17588
• Log P: 1.2373856
• Molar Refractivity: 57.0861 cm^3
• Polarizability: 22.650341 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.631

Product Information

• Purity: 95%