2-amino-N-methyl-N-(pyridin-4-ylmethyl)propanamide dihydrochloride

• ChemBase ID: 242924
• Molecular Formular: C10H17Cl2N3O
• Molecular Mass: 266.16748
• Monoisotopic Mass: 265.07486754
• SMILES: C(=O)(N(Cc1ccncc1)C)C(N)C.Cl.Cl
• Canonical SMILES: CC(C(=O)N(Cc1ccncc1)C)N.Cl.Cl
• InChI: InChI=1S/C10H15N3O.2ClH/c1-8(11)10(14)13(2)7-9-3-5-12-6-4-9;;/h3-6,8H,7,11H2,1-2H3;2*1H
• InChIKey: CBGQQIRGKCMTSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methyl-N-(pyridin-4-ylmethyl)propanamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-methyl-N-(pyridin-4-ylmethyl)propanamide dihydrochloride
• Synonyms: 2-amino-N-methyl-N-(pyridin-4-ylmethyl)propanamide dihydrochloride

Database IDs

• MDL Number: MFCD22578548
• PubChem SID: 164298834
• PubChem CID: 71757117

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.1912217
• LogD (pH = 7.4): -1.4536563
• Log P: -0.43150112
• Molar Refractivity: 54.5686 cm^3
• Polarizability: 21.366142 Å^3
• Polar Surface Area: 59.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.659

Product Information

• Purity: 95%