N-(Adamantan-1-ylcarbonyl)glycine supplier

Name
(ADAMANTANE-1-CARBONYL)-AMINO]-ACETIC ACID
EINECS
CAS No. 21241-41-8
Article Data8
CAS DataBase
Density 1.279 g/cm³
Solubility
Melting Point 195-198 °C
Formula C₁₃H₁₉NO₃
Boiling Point 479.6 °C at 760 mmHg
Molecular Weight 237.297
Flash Point 243.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Glycine,N-(1-adamantylcarbonyl)- (8CI);N-(Adamantane-1-carbonyl)glycine;Glycine,N-(tricyclo[3.3.1.1^3,7]dec-1-ylcarbonyl)-;
PSA
LogP

N-(Adamantan-1-ylcarbonyl)glycine 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[3.3.1.1^3,7]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

Product Name

(ADAMANTANE-1-CARBONYL)-AMINO]-ACETIC ACID

N-(Adamantan-1-ylcarbonyl)glycine Specification

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