dimethyl({2-[(1-methylpiperidin-4-yl)amino]ethyl})amine

• ChemBase ID: 14711
• Molecular Formular: C10H23N3
• Molecular Mass: 185.30972
• Monoisotopic Mass: 185.18919775
• SMILES: C1(CCN(CC1)C)NCCN(C)C
• Canonical SMILES: CN(CCNC1CCN(CC1)C)C
• InChI: InChI=1S/C10H23N3/c1-12(2)9-6-11-10-4-7-13(3)8-5-10/h10-11H,4-9H2,1-3H3
• InChIKey: UXUAHYOQBHTTML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({2-[(1-methylpiperidin-4-yl)amino]ethyl})amine
• IUPAC Traditional name: dimethyl({2-[(1-methylpiperidin-4-yl)amino]ethyl})amine
• Synonyms: dimethyl({2-[(1-methylpiperidin-4-yl)amino]ethyl})amine; N,N-Dimethyl-N'-(1-methyl-piperidin-4-yl)-ethane-1,2-diamine; N1,N1-dimethyl-N2-(1-methylpiperidin-4-yl)ethane-1,2-diamine

Database IDs

• CAS Number: 724757-63-5
• MDL Number: MFCD03856661
• PubChem SID: 160978018
• PubChem CID: 1085213

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -6.3511815
• LogD (pH = 7.4): -3.388355
• Log P: -0.14742783
• Molar Refractivity: 58.1636 cm^3
• Polarizability: 23.024387 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.131

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%