1H-Inden-1-amine,2,3-dihydro-N-2-propyn-1-yl- supplier

Name
rasagiline
EINECS
CAS No. 1875-50-9
Article Data18
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃N
Boiling Point 305.5 °C at 760 mmHg
Molecular Weight 171.242
Flash Point 146.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Indanamine,N-2-propynyl- (7CI,8CI);1H-Inden-1-amine, 2,3-dihydro-N-2-propynyl- (9CI);AGN1135;Racemic rasagiline;
PSA 12.03000
LogP 2.63520

1H-Inden-1-amine,2,3-dihydro-N-2-propyn-1-yl- Specification

The 1H-Inden-1-amine,2,3-dihydro-N-2-propyn-1-yl-, with the CAS registry number 1875-50-9, is also known as Agn-1135. This chemical's molecular formula is C₁₂H₁₃N and molecular weight is 171.23832. Its IUPAC name is called N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine. This chemical's classification codes are Central Nervous System Agents; Enzyme Inhibitors; Monoamine Oxidase Inhibitors; Neuroprotective Agents; Protective Agents.

Physical properties of 1H-Inden-1-amine,2,3-dihydro-N-2-propyn-1-yl-: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 0.31; (3)ACD/LogD (pH 7.4): 1.92; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 14.07; (6)ACD/KOC (pH 5.5): 4.48; (7)ACD/KOC (pH 7.4): 183.99; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.576; (12)Molar Refractivity: 53.91 cm³; (13)Molar Volume: 162.7 cm³; (14)Surface Tension: 43.6 dyne/cm; (15)Density: 1.05 g/cm³; (16)Flash Point: 146.8 °C; (17)Enthalpy of Vaporization: 54.6 kJ/mol; (18)Boiling Point: 305.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000816 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C#CCNC1CCC2=CC=CC=C12
(2)InChI: InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2
(3)InChIKey: RUOKEQAAGRXIBM-UHFFFAOYSA-N

Product Name

rasagiline

1H-Inden-1-amine,2,3-dihydro-N-2-propyn-1-yl- Specification

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