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81099-48-1

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Basic Information
CAS No.: 81099-48-1
Name: N-(1-ADAMANTYLMETHYL)-2-CHLOROACETAMIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 81099-48-1 (N-(1-ADAMANTYLMETHYL)-2-CHLOROACETAMIDE)
Formula: C13H20ClNO
Molecular Weight: 241.761
Synonyms: N-(1-adamantylmethyl)-2-chloroacetamide;2-chloro-N-(tricyclo[3.3.1.13,7]dec-1-ylmethyl)acetamide;
Density: 1.175 g/cm3
Boiling Point: 395.8 °C at 760 mmHg
Flash Point: 193.2 °C
PSA: 29.10000
LogP: 2.94870
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    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

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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