(1,5-dimethyl-1H-pyrrol-2-yl)methanamine

• ChemBase ID: 91871
• Molecular Formular: C7H12N2
• Molecular Mass: 124.18358
• Monoisotopic Mass: 124.10004839
• SMILES: n1(c(ccc1C)CN)C
• Canonical SMILES: Cn1c(CN)ccc1C
• InChI: InChI=1S/C7H12N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,5,8H2,1-2H3
• InChIKey: KMUHAJOXPNPERW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,5-dimethyl-1H-pyrrol-2-yl)methanamine
• IUPAC Traditional name: (1,5-dimethylpyrrol-2-yl)methanamine
• Synonyms: (1,5-Dimethyl-1H-pyrrol-2-yl)methylamine; 2-(Aminomethyl)-1,5-dimethyl-1H-pyrrole 95+%; (1,5-dimethyl-1H-pyrrol-2-yl)methylamine

Database IDs

• CAS Number: 118799-24-9
• MDL Number: MFCD02180786
• PubChem SID: 162078569
• PubChem CID: 737232

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4003067
• LogD (pH = 7.4): -1.1384618
• Log P: 0.52213687
• Molar Refractivity: 39.2141 cm^3
• Polarizability: 14.935197 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135 - 140°C
• Boiling Point: 40°C/0.1mm
• Hydrophobicity(logP): 0.665

Safety Information

• Storage Warning: Corrosive/Keep Cold/Store under Argon

Product Information

• Purity: 90%; 95%