-
Name
3-ethyladamantan-1-amine
- EINECS
- CAS No. 41100-45-2
- Article Data9
- CAS DataBase
- Density 1.029 g/cm3
- Solubility
- Melting Point
- Formula C12H21N
- Boiling Point 244.6 °C at 760 mmHg
- Molecular Weight 179.305
- Flash Point 97.5 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Ethyltricyclo[3.3.1.13,7]decan-1-amine;
- PSA 26.02000
- LogP 3.39440
Tricyclo[3.3.1.13,7]decan-1-amine,3-ethyl- Specification
The Tricyclo[3.3.1.13,7]decan-1-amine,3-ethyl-, with the CAS registry number of 41100-45-2, is also known as 3-Ethyltricyclo[3.3.1.13,7]decan-1-amine. Its molecular formula is C12H21N and molecular weight is 179.301840. What's more, its IUPAC name is 3-Ethyladamantan-1-amine.
Physical properties about the Tricyclo[3.3.1.13,7]decan-1-amine,3-ethyl- are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.09; (8)ACD/KOC (pH 7.4): 1.65; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2 ; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 54.9 cm3; (15)Molar Volume: 174.1 cm3; (16)Surface Tension: 47.8 dyne/cm; (17)Density: 1.029 g/cm3; (18)Flash Point: 97.5 °C; (19)Enthalpy of Vaporization: 48.16 kJ/mol; (20)Boiling Point: 244.6 °C at 760 mmHg; (21)Vapour Pressure: 0.0301 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: NC12CC3CC(C1)(CC(C2)C3)CC
(2) InChI: InChI=1/C12H21N/c1-2-11-4-9-3-10(5-11)7-12(13,6-9)8-11/h9-10H,2-8,13H2,1H3
(3) InChIKey: OVQNSGBYKOJYBK-UHFFFAOYAA
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