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

• ChemBase ID: 70353
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: C1C(Cc2ccccc12)N.Cl
• Canonical SMILES: NC1Cc2c(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-amine hydrochloride
• IUPAC Traditional name: 2-aminoindane hydrochloride
• Synonyms: 2-Aminoindan hydrochloride; 2,3-Dihydro-1H-inden-2-amine hydrochloride; 2-Amino-2,3-dihydro-1H-indene hydrochloride; Indan-2-amine hydrochloride; 2-Aminoindane hydrochloride 98%; 2-Indanamine hydrochloride; 2-Aminoindan hydrochloride; 2,3-dihydro-1H-inden-2-amine hydrochloride; 2-茚胺 盐酸盐; 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
• PubChem SID: 162036073; 24891039
• PubChem CID: 122764

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.530259
• LogD (pH = 7.4): -0.9565448
• Log P: 1.487331
• Molar Refractivity: 42.2662 cm^3
• Polarizability: 16.53437 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245-247 °C; 245-247 °C(lit.); 246 - 247°C
• Hydrophobicity(logP): 0.0

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• RTECS: NK4050000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• Safety Statements: 22-24/25
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 95%; 95+%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C9H11N · HCl

DETAILS

Sigma Aldrich - A59522

Application
Prepared from 2-indanols via azide displacement and subsequent hydrogenation.1
Packaging
1, 5, 25 g in glass bottle