1-(2-azidoethyl)-N,N-dimethylpyrrolidin-3-amine

• ChemBase ID: 244603
• Molecular Formular: C8H17N5
• Molecular Mass: 183.25408
• Monoisotopic Mass: 183.14839557
• SMILES: [N+](=[N-])=NCCN1CC(CC1)N(C)C
• Canonical SMILES: [N-]=[N+]=NCCN1CCC(C1)N(C)C
• InChI: InChI=1S/C8H17N5/c1-12(2)8-3-5-13(7-8)6-4-10-11-9/h8H,3-7H2,1-2H3
• InChIKey: UNIRCUBYUZTKAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-azidoethyl)-N,N-dimethylpyrrolidin-3-amine
• IUPAC Traditional name: 1-(2-azidoethyl)-N,N-dimethylpyrrolidin-3-amine
• Synonyms: 1-(2-azidoethyl)-N,N-dimethylpyrrolidin-3-amine

Database IDs

• MDL Number: MFCD18278607
• PubChem SID: 164300513
• PubChem CID: 63164910

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3988159
• LogD (pH = 7.4): -1.9977001
• Log P: 0.28725827
• Molar Refractivity: 53.1586 cm^3
• Polarizability: 20.048903 Å^3
• Polar Surface Area: 35.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.642

Product Information

• Purity: 95%