N-Acetyl-DL-cyclohexylglycine supplier

Name
N-Acetyl-DL-cyclohexylglycine
EINECS
CAS No. 107020-80-4
Article Data9
CAS DataBase
Density 1.134 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇NO₃
Boiling Point 428.641 °C at 760 mmHg
Molecular Weight 199.25
Flash Point 213.035 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-N-Acetyl-2-cyclohexylglycine;N-Acetyl-DL-2-cyclohexylglycine;a-(Acetylamino)cyclohexaneacetic acid;
PSA 66.40000
LogP 1.54690

N-Acetyl-DL-cyclohexylglycine Specification

The IUPAC name of N-Acetyl-DL-cyclohexylglycine is 2-acetamido-2-cyclohexylacetic acid. With the CAS registry number 107020-80-4, it is also named as Cyclohexaneacetic acid,a-(acetylamino)-. In addition, its molecular formula is C₁₀H₁₇NO₃ and its molecular weight is 199.25.

The other characteristics of N-Acetyl-DL-cyclohexylglycine can be summarized as: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 4; (8)H bond donors: 2; (9)Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.4 Å²; (11)Index of Refraction: 1.497; (12)Molar Refractivity: 51.357 cm³; (13)Molar Volume: 175.632 cm³; (14)Polarizability: 20.359×10^-24cm³; (15)Surface Tension: 44.065 dyne/cm; (16)Density: 1.134 g/cm³; (17)Flash Point: 213.035 °C; (18)Enthalpy of Vaporization: 74.992 kJ/mol; (19)Boiling Point: 428.641 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)C(NC(=O)C)C1CCCCC1
(2)InChI:InChI=1/C10H17NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)
(3)InChIKey:CVVVAKVOCWNDLJ-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C10H17NO3/c1-7(12)11-9(10(13)14)8-5-3-2-4-6-8/h8-9H,2-6H2,1H3,(H,11,12)(H,13,14)
(5)Std. InChIKey:CVVVAKVOCWNDLJ-UHFFFAOYSA-N

Product Name

N-Acetyl-DL-cyclohexylglycine

N-Acetyl-DL-cyclohexylglycine Specification

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