3-(3-azidopropoxy)-N,N-dimethylaniline

• ChemBase ID: 241834
• Molecular Formular: C11H16N4O
• Molecular Mass: 220.27094
• Monoisotopic Mass: 220.13241115
• SMILES: [N+](=[N-])=NCCCOc1cc(N(C)C)ccc1
• Canonical SMILES: [N-]=[N+]=NCCCOc1cccc(c1)N(C)C
• InChI: InChI=1S/C11H16N4O/c1-15(2)10-5-3-6-11(9-10)16-8-4-7-13-14-12/h3,5-6,9H,4,7-8H2,1-2H3
• InChIKey: VEQPALSZAUCKLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-azidopropoxy)-N,N-dimethylaniline
• IUPAC Traditional name: 3-(3-azidopropoxy)-N,N-dimethylaniline
• Synonyms: 3-(3-azidopropoxy)-N,N-dimethylaniline

Database IDs

• MDL Number: MFCD14658556
• PubChem SID: 164297744
• PubChem CID: 55137977

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9894084
• LogD (pH = 7.4): 1.9996428
• Log P: 2.1138206
• Molar Refractivity: 64.4 cm^3
• Polarizability: 23.61201 Å^3
• Polar Surface Area: 41.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.659

Product Information

• Purity: 95%