dimethyl(pyrrolidin-3-ylmethyl)amine

• ChemBase ID: 32173
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: N1CC(CN(C)C)CC1
• Canonical SMILES: CN(CC1CNCC1)C
• InChI: InChI=1S/C7H16N2/c1-9(2)6-7-3-4-8-5-7/h7-8H,3-6H2,1-2H3
• InChIKey: DDROADVTQNAKPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(pyrrolidin-3-ylmethyl)amine
• IUPAC Traditional name: dimethyl(pyrrolidin-3-ylmethyl)amine
• Synonyms: N,N-Dimethyl(3-pyrrolidinyl)methanamine; N,N-dimethyl-1-(3-pyrrolidinyl)methanamine; dimethyl(pyrrolidin-3-ylmethyl)amine

Database IDs

• CAS Number: 99724-17-1
• MDL Number: MFCD09036031
• PubChem SID: 160995480
• PubChem CID: 14086165

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.03008
• LogD (pH = 7.4): -4.1830363
• Log P: -0.10848353
• Molar Refractivity: 40.2627 cm^3
• Polarizability: 15.965017 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.31

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%