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

• ChemBase ID: 35820
• Molecular Formular: C8H11ClN2
• Molecular Mass: 170.63934
• Monoisotopic Mass: 170.06107604
• SMILES: c12c(cc(N)cc2)CCN1.Cl
• Canonical SMILES: Nc1ccc2c(c1)CCN2.Cl
• InChI: InChI=1S/C8H10N2.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4,9H2;1H
• InChIKey: GFJAZFUWYDPDEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-indol-5-amine hydrochloride
• IUPAC Traditional name: 2,3-dihydro-1H-indol-5-amine hydrochloride
• Synonyms: Indolin-5-amine hydrochloride

Database IDs

• CAS Number: 32692-19-6
• MDL Number: MFCD18071055
• PubChem SID: 160999127
• PubChem CID: 56829424

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.4609267
• LogD (pH = 7.4): 0.59336364
• Log P: 0.6569865
• Molar Refractivity: 44.2618 cm^3
• Polarizability: 15.486745 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false