2-[3-(dimethylamino)propoxy]aniline

• ChemBase ID: 19503
• Molecular Formular: C11H18N2O
• Molecular Mass: 194.27342
• Monoisotopic Mass: 194.14191321
• SMILES: c1(c(OCCCN(C)C)cccc1)N
• Canonical SMILES: CN(CCCOc1ccccc1N)C
• InChI: InChI=1S/C11H18N2O/c1-13(2)8-5-9-14-11-7-4-3-6-10(11)12/h3-4,6-7H,5,8-9,12H2,1-2H3
• InChIKey: XGTIDBFMHOJXSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(dimethylamino)propoxy]aniline
• IUPAC Traditional name: 2-[3-(dimethylamino)propoxy]aniline
• Synonyms: 2-[3-(Dimethylamino)propoxy]aniline; 2-[3-(Dimethylamino)propoxy]aniline 97%

Database IDs

• CAS Number: 1134-76-5
• MDL Number: MFCD08687610
• PubChem SID: 160982810
• PubChem CID: 18672712

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.7882388
• Log P: 1.0652529
• Molar Refractivity: 60.1061 cm^3
• Polarizability: 22.88942 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.283771

PROPERTIES

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%