1-methyl-2,3-dihydro-1H-indol-5-amine

• ChemBase ID: 77451
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: N1(c2c(cc(cc2)N)CC1)C
• Canonical SMILES: Nc1ccc2c(c1)CCN2C
• InChI: InChI=1S/C9H12N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-3,6H,4-5,10H2,1H3
• InChIKey: JYSFDZGGGCGZGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2,3-dihydro-1H-indol-5-amine
• IUPAC Traditional name: 1-methyl-2,3-dihydroindol-5-amine
• Synonyms: 5-Amino-1-methyl-2,3-dihydro-1H-indole; 5-Amino-1-methylindoline 97%; 1-methyl-5-indolinamine

Database IDs

• CAS Number: 64180-07-0
• MDL Number: MFCD09035071
• PubChem SID: 162042323
• PubChem CID: 22637122

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.42031905
• LogD (pH = 7.4): 1.2576476
• Log P: 1.2922522
• Molar Refractivity: 48.4966 cm^3
• Polarizability: 17.33105 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 37.5-38.5°C

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 90%; 98%