Basic information
- Name:
N-(Adamantan-1-ylcarbonyl)glycine
- CAS No.:
21241-41-8
- Molecular Structure:
- Formula:
- C13H19NO3
- Molecular Weight:
- 237.297
- Synonyms:
- Glycine,N-(1-adamantylcarbonyl)- (8CI);N-(Adamantane-1-carbonyl)glycine;Glycine,N-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-;
- Density:
- 1.279 g/cm3
- Boiling Point:
- 479.6 °C at 760 mmHg
- Flash Point:
- 243.9 °C
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Specification
The N-(Adamantan-1-ylcarbonyl)glycine, with the CAS registry number 21241-41-8, is also known as [(Adamantane-1-carbonyl)-amino]-acetic acid. This chemical's molecular formula is C13H19NO3 and molecular weight is 237.297. What's more, its systematic name is N-(Tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)glycine.
Physical properties about N-(Adamantan-1-ylcarbonyl)glycine are: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): -2.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.08; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 61.12 cm3; (15)Molar Volume: 185.4 cm3; (16)Polarizability: 24.23×10-24 cm3; (17)Surface Tension: 56.3 dyne/cm; (18)Density: 1.279 g/cm3; (19)Flash Point: 243.9 °C; (20)Enthalpy of Vaporization: 81.49 kJ/mol; (21)Boiling Point: 479.6 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CNC(=O)C13CC2CC(CC(C1)C2)C3
(2) InChI: InChI=1/C13H19NO3/c15-11(16)7-14-12(17)13-4-8-1-9(5-13)3-10(2-8)6-13/h8-10H,1-7H2,(H,14,17)(H,15,16)
(3) InChIKey: FGCTZJMAHLGRBY-UHFFFAOYAV