2,3-dihydro-1H-inden-4-amine

• ChemBase ID: 75232
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: Nc1c2c(ccc1)CCC2
• Canonical SMILES: Nc1cccc2c1CCC2
• InChI: InChI=1S/C9H11N/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5,10H2
• InChIKey: RXTJLDXSGNEJIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-4-amine
• IUPAC Traditional name: 2,3-dihydro-1H-inden-4-amine
• Synonyms: 4-Indanamine; 4-Aminoindan; Indan-4-amine; 2,3-Dihydro-1H-inden-4-amine; 4-Aminoindane; 4-茚胺; 4-氨基茚满

Database IDs

• CAS Number: 32202-61-2
• EC Number: 250-950-7
• MDL Number: MFCD00082598
• PubChem SID: 162040150; 24849968
• PubChem CID: 122569

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1149688
• LogD (pH = 7.4): 2.1515188
• Log P: 2.1520054
• Molar Refractivity: 43.6396 cm^3
• Polarizability: 16.131561 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90-92 °C(lit.); 90-92°C
• Density: 0.736; 0.736 g/mL at 25 °C(lit.)
• Refractive Index: 1.5920; n20/D 1.592(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C9H11N

DETAILS

Sigma Aldrich - 162108

Packaging
5 g in glass bottle