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| CAS No.: | 54949-92-7 |
|---|---|
| Name: | 2,3-Dihydro-1H-indene-1-methanamine |
| Molecular Structure: | |
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| Formula: | C10H13N |
| Molecular Weight: | 147.22 |
| Synonyms: | 1-Indanmethylamine(7CI);1-(2,3-Dihydro-1H-inden-1-yl)methanamine;1-Indanmethanamine;[(Indan-1-yl)methyl]amine; |
| Density: | 1.028 g/cm3 |
| Boiling Point: | 249.103 °C at 760 mmHg |
| Flash Point: | 109.479 °C |
| PSA: | 26.02000 |
| LogP: | 2.37540 |
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Specification
The 2,3-Dihydro-1H-indene-1-methanamine, with the cas registry number 54949-92-7, has the systematic name of 1-(2,3-dihydro-1H-inden-1-yl)methanamine. And the molecular formula of the chemical is C10H13N.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.02 Å2; (11)Index of Refraction: 1.565; (12)Molar Refractivity: 46.656 cm3; (13)Molar Volume: 143.267 cm3; (14)Polarizability: 18.496×10-24cm3; (15)Surface Tension: 42.993 dyne/cm; (16)Density: 1.028 g/cm3; (17)Flash Point: 109.479 °C; (18)Enthalpy of Vaporization: 48.632 kJ/mol; (19)Boiling Point: 249.103 °C at 760 mmHg; (20)Vapour Pressure: 0.023 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCC2CCc1ccccc12
(2)InChI: InChI=1/C10H13N/c11-7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7,11H2
(3)InChIKey: QBHALBZXAXQBOY-UHFFFAOYAJ