2,3-dihydro-1H-indol-1-amine hydrochloride

• ChemBase ID: 12202
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: N1(CCc2ccccc12)N.Cl
• Canonical SMILES: NN1CCc2c1cccc2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c9-10-6-5-7-3-1-2-4-8(7)10;/h1-4H,5-6,9H2;1H
• InChIKey: RAGNOCNBVIIEHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indol-1-amine hydrochloride
• IUPAC Traditional name: 2,3-dihydroindol-1-amine hydrochloride
• Synonyms: Indolin-1-amine hydrochloride

Database IDs

• CAS Number: 92259-86-4
• MDL Number: MFCD04037889
• PubChem SID: 160975509
• PubChem CID: 2760931

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9353334
• LogD (pH = 7.4): 1.4393637
• Log P: 1.451693
• Molar Refractivity: 52.8796 cm^3
• Polarizability: 15.776928 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185°C(dec); 185(dec.)°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false