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CAS No.: | 67120-39-2 |
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Name: | 1H-inden-1-amine, 5-chloro-2,3-dihydro- |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C9H10ClN |
Molecular Weight: | 167.638 |
Synonyms: | 5-Chloro-1-indanylamine; |
Density: | 1.214 g/cm3 |
Boiling Point: | 262.968 °C at 760 mmHg |
Flash Point: | 112.839 °C |
PSA: | 26.02000 |
LogP: | 2.98630 |
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The 5-Chloroindan-1-amine is an organic compound with the formula C9H10ClN. The systematic name of this chemical is 5-chloro-2,3-dihydro-1H-inden-1-amine. With the CAS registry number 67120-39-2, it is also named as 1H-inden-1-amine, 5-chloro-2,3-dihydro-. In addition, this chemical must be stored at normal temperature and avoid direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 5; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 46.875 cm3; (13)Molar Volume: 138.046 cm3; (14)Polarizability: 18.583×10-24 cm3; (15)Surface Tension: 45.851 dyne/cm; (16)Density: 1.214 g/cm3; (17)Flash Point: 112.839 °C; (18)Enthalpy of Vaporization: 50.078 kJ/mol; (19)Boiling Point: 262.968 °C at 760 mmHg; (20)Vapour Pressure: 0.011 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES: Clc1cc2CCC(N)c2cc1;
2. InChI: InChI=1/C9H10ClN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2;
3. InChIKey: CCNOGOGUHOMLMI-UHFFFAOYAS.