-
Name
N-(1-ADAMANTYL)ANILINE
- EINECS
- CAS No. 33187-62-1
- Article Data18
- CAS DataBase
- Density 1.141 g/cm3
- Solubility
- Melting Point 75-82℃
- Formula C16H21N
- Boiling Point 355.7 °C at 760 mmHg
- Molecular Weight 227.349
- Flash Point 177.4 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms N-(1-Adamantyl)aniline;
- PSA 12.03000
- LogP 4.14030
Tricyclo[3.3.1.13,7]decan-1-amine,N-phenyl- Specification
The Tricyclo[3.3.1.13,7]decan-1-amine,N-phenyl-, with the CAS registry number of 33187-62-1, is also known as N-(1-Adamantyl)aniline. Its molecular formula is C16H21N and molecular weight is 227.344640. What's more, its IUPAC name is N-Phenyladamantan-1-amine.
Physical properties about the Tricyclo[3.3.1.13,7]decan-1-amine,N-phenyl- are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 3.24 Å2; (7)Index of Refraction: 1.635; (8)Molar Refractivity: 71.34 cm3; (9)Molar Volume: 199.1 cm3; (10)Surface Tension: 51.8 dyne/cm; (11)Density: 1.141 g/cm3; (12)Flash Point: 177.4 °C; (13)Enthalpy of Vaporization: 60.08 kJ/mol; (14)Boiling Point: 355.7 °C at 760 mmHg; (15)Vapour Pressure: 3.08E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccccc1NC24CC3CC(CC(C2)C3)C4
(2) InChI: InChI=1/C16H21N/c1-2-4-15(5-3-1)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14,17H,6-11H2
(3) InChIKey: NKOYQKQNTMZHRD-UHFFFAOYAI
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