methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine

• ChemBase ID: 17609
• Molecular Formular: C7H12N2
• Molecular Mass: 124.18358
• Monoisotopic Mass: 124.10004839
• SMILES: c1(n(ccc1)C)CNC
• Canonical SMILES: CNCc1cccn1C
• InChI: InChI=1S/C7H12N2/c1-8-6-7-4-3-5-9(7)2/h3-5,8H,6H2,1-2H3
• InChIKey: YEMKVBRHRNHHGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(1-methylpyrrol-2-yl)methyl]amine
• Synonyms: Methyl-(1-methyl-1H-pyrrol-2-ylmethyl)-amine; methyl[(1-methyl-1H-pyrrol-2-yl)methyl]amine; N-methyl-1-(1-methyl-1H-pyrrol-2-yl)methanamine

Database IDs

• CAS Number: 26052-09-5
• MDL Number: MFCD05859249
• PubChem SID: 160980916
• PubChem CID: 1096385

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3490274
• LogD (pH = 7.4): -1.0071374
• Log P: 0.7551559
• Molar Refractivity: 38.839 cm^3
• Polarizability: 15.015824 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.582

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 98%