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

• ChemBase ID: 34804
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: c12c(CCC1N)cccc2
• Canonical SMILES: NC1CCc2c1cccc2
• InChI: InChI=1S/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H2
• InChIKey: XJEVHMGJSYVQBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: indanamin
• Synonyms: 2,3-Dihydro-1H-inden-1-ylamine; 2,3-Dihydro-1H-inden-1-amine; 1-Aminoindane; (+/-)-1-Indanamine; (±)-1-Aminoindane; 1-AMINOINDAN; 1-Indanamine; 1-Aminoindan; (+/-)-1-氨基茚满; 1-茚胺; 1-氨基茚满

Database IDs

• CAS Number: 34698-41-4
• EC Number: 252-158-7
• MDL Number: MFCD00003799
• Beilstein Number: 3196205
• PubChem SID: 24891038; 160998111
• PubChem CID: 123445

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3644532
• LogD (pH = 7.4): -0.62883526
• Log P: 1.6432385
• Molar Refractivity: 42.1122 cm^3
• Polarizability: 16.613792 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 1.5°C; 1.5°C°C; 15 °C(lit.); 2°C
• Boiling Point: 225°C; 96-97 °C/8 mmHg(lit.); 96-98°C°C
• Flash Point: 201.2 °F; 94 °C; 94°C°C; 94°C(201°F)
• Density: 1.038; 1.038 g/ml; 1.038 g/mL at 25 °C(lit.)
• Refractive Index: 1.5620; n20/D 1.561(lit.)
• Hydrophobicity(logP): 1.508

Safety Information

• Storage Warning: Air Sensitive; IRRITANT; Irritant/Store under inert gas/Keep Cold
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%; 98%; 99%
• Empirical Formula (Hill Notation): C9H11N

DETAILS

MP Biomedicals - 05201510

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A59506

Packaging
1 g in glass bottle