2,3-dihydro-1H-inden-2-aminium chloride

• ChemBase ID: 302377
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: c1ccc2c(c1)CC(C2)[NH3+].[Cl-]
• Canonical SMILES: [NH3+]C1Cc2c(C1)cccc2.[Cl-]
• InChI: InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
• InChIKey: XEHNLVMHWYPNEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-2-aminium chloride
• IUPAC Traditional name: 2,3-dihydro-1H-inden-2-aminium chloride
• Synonyms: 2-Indanamine hydrochloride; 2-Aminoindane hydrochloride; 2-氨基茚满 盐酸盐

Database IDs

• CAS Number: 2338-18-3
• EC Number: 219-048-0
• MDL Number: MFCD00012549
• Beilstein Number: 3913700

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): -1.530259
• LogD (pH = 7.4): -0.9565448
• Log P: 1.487331
• Molar Refractivity: 53.559 cm^3
• Polarizability: 16.452394 Å^3
• Polar Surface Area: 27.64 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 243-248°C

Safety Information

• RTECS: NK4050000
• European Hazard Symbols: X
• Risk Statements: 22
• Safety Statements: 36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H302
• GHS Precautionary statements: P280F

Product Information

• Purity: 98%