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

• ChemBase ID: 24768
• Molecular Formular: C9H11N
• Molecular Mass: 133.19034
• Monoisotopic Mass: 133.08914936
• SMILES: c12c(CC(C1)N)cccc2
• Canonical SMILES: NC1Cc2c(C1)cccc2
• InChI: InChI=1S/C9H11N/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9H,5-6,10H2
• InChIKey: LMHHFZAXSANGGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: 2-aminoindane
• Synonyms: 2-Aminoindan; 2-indanylamine; 2-indanamine; (2,3-Dihydro-1H-inden-2-yl)amine; 2-Amino-2,3-dihydro-1H-indene; 2-Aminoindane; Su 8629; 2-Aminoindan; 2,3-Dihydro-1H-inden-2-ylamine; 2,3-Dihydro-1H-inden-2-amine; Indan-2-amine; 2-Aminoindane; indan-2-amine; 2-Aminoindane; 2-氨基茚满; 2-氨基茚

Database IDs

• CAS Number: 2975-41-9
• EC Number: 221-021-3
• MDL Number: MFCD00082597
• PubChem SID: 160988075; 24871599
• PubChem CID: 76310
• Chemspider ID: 68787
• Wikipedia Title: 2-Aminoindane

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

• Boiling Point: 229°C; 229°C
• Flash Point: 100°C; 100°C(212°F)
• Density: 1.024; 1.024 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.561(lit.)

Safety Information

• Storage Warning: IRRITANT; Toxic/Corrosive/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); X; Irritant (Xi)
• UN Number: UN2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34; 36/37/38
• Safety Statements: 26-36; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H314-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled

Product Information

• Purity: 95%; 97%; 98%
• Empirical Formula (Hill Notation): C9H11N

DETAILS

Sigma Aldrich - 479128

Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - A611825

2-Aminoindan is an analgesic with sympathomimetic activity. 2-Aminoindan is an inhibitor norepinephrine methyltransferase.

REFERENCES

• Burn, P. et al.: J. Pharm. Pharmacol., 28, 80P (1976)
• Fuller, R. et al.: Biochem. Pharmacol., 26, 446 (1976)