1-methyl-1H-indol-5-amine

• ChemBase ID: 31369
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: n1(c2c(cc1)cc(cc2)N)C
• Canonical SMILES: Nc1ccc2c(c1)ccn2C
• InChI: InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
• InChIKey: PGTSGPCXPIFQEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1H-indol-5-amine
• IUPAC Traditional name: 1-methylindol-5-amine
• Synonyms: 1-methyl-1H-indol-5-amine; 1-Methyl-1H-indol-5-amine; 5-Amino-1-methyl-1H-indole 97%; 1-Methyl-1H-indol-5-ylamine

Database IDs

• CAS Number: 102308-97-4
• MDL Number: MFCD03839873
• PubChem SID: 160994676
• PubChem CID: 2769564

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.458482
• LogD (pH = 7.4): 1.4666528
• Log P: 1.4667579
• Molar Refractivity: 46.7416 cm^3
• Polarizability: 18.504293 Å^3
• Polar Surface Area: 30.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 101-104°C

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Light Sensitive/Keep Cold/Store under Argon
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%