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Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-

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Name

Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-

EINECS N/A
CAS No. 81099-48-1 Density 1.175 g/cm3
PSA 29.10000 LogP 2.94870
Solubility N/A Melting Point N/A
Formula C13H20ClNO Boiling Point 395.8 °C at 760 mmHg
Molecular Weight 241.761 Flash Point 193.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 81099-48-1 (N-(1-ADAMANTYLMETHYL)-2-CHLOROACETAMIDE) Hazard Symbols N/A
Synonyms

N-(1-adamantylmethyl)-2-chloroacetamide;2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)acetamide;

Article Data 2

Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- Specification

The CAS register number of Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- is 81099-48-1. It also can be called as 2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)acetamide and the IUPAC name about this chemical is N-(1-adamantylmethyl)-2-chloroacetamide. The molecular formula about this chemical is C13H20ClNO and molecular weight is 241.757000 g/mol.

Physical properties about Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)- are: (1)ACD/LogP: 2.60; (2)ACD/LogD (pH 5.5): 2.6; (3)ACD/LogD (pH 7.4): 2.6; (4)ACD/BCF (pH 5.5): 55.38; (5)ACD/BCF (pH 7.4): 55.38; (6)ACD/KOC (pH 5.5): 615.92; (7)ACD/KOC (pH 7.4): 615.92; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.31Å2; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 64.55 cm3; (14)Molar Volume: 205.6 cm3; (15)Polarizability: 25.59x10-24cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Enthalpy of Vaporization: 64.6 kJ/mol; (18)Boiling Point: 395.8 °C at 760 mmHg; (19)Vapour Pressure: 1.79E-06 mmHg at 25°C.

Uses of Acetamide,2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)-: it can be used to produce 2-amino-thiazol-4-one with thiourea at heating. This reaction will need solvent propan-2-ol with reaction time of 7 hours. The yield is about 58%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)NCC13CC2CC(CC(C1)C2)C3
(2)InChI: InChI=1/C13H20ClNO/c14-7-12(16)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H,15,16)
(3)InChIKey: DFXOTENDXREYFZ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C13H20ClNO/c14-7-12(16)15-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H,15,16)
(5)Std. InChIKey: DFXOTENDXREYFZ-UHFFFAOYSA-N

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