1-Actamido-3,5-dimethyladmantane CAS NO.19982-07-1

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Product Details

Keywords

19982-07-1
1-Actamido-3,5-dimethyladmantane
N-(3,5-Dimethyl-1-adamantyl)-acetamide

Quick Details

ProName: 1-Actamido-3,5-dimethyladmantane
CasNo: 19982-07-1
Molecular Formula: C14H23NO
Appearance: Off-white powder
Application: 19982-07-1
DeliveryTime: 30 days
PackAge: 1kg,5kg,10kg,25kg
Port: Shanghai
ProductionCapacity: 5 Metric Ton/Month
Purity: 98%
Storage: R.T
Transportation: 19982-07-1
LimitNum: 1 Kilogram
Moisture Content: 0.5%
Impurity: 0.5%

Superiority

The systematic name of 1-Actamido-3,5-dimethyladmantane is N-(3,5-dimethyltricyclo[3.3.1.1^3,7]dec-1-yl)acetamide. With the CAS registry number 19982-07-1, it is also named as N-(3,5-Dimethyl-1-adamantyl)-acetamide. The product is an intermediate used for preparation of Memantine. In addition, its molecular formula is C₁₄H₂₃NO and molecular weight is 221.34.

The other characteristics of 1-Actamido-3,5-dimethyladmantane can be summarized as: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.82; (6)ACD/BCF (pH 7.4): 77.82; (7)ACD/KOC (pH 5.5): 785.71; (8)ACD/KOC (pH 7.4): 785.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 64.5 cm³; (15)Molar Volume: 209.9 cm³; (16)Polarizability: 25.57×10^-24cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.05 g/cm³; (19)Flash Point: 210 °C; (20)Melting Point: 110-111 °C; (21)Enthalpy of Vaporization: 59.29 kJ/mol; (22)Boiling Point: 348.5 °C at 760 mmHg; (23)Vapour Pressure: 5.02E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(NC12CC3(CC(C1)(CC(C2)C3)C)C)C
(2)InChI: InChI=1/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
(3)InChIKey: WVIRSYCDAYUOMJ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)
(5)Std. InChIKey: WVIRSYCDAYUOMJ-UHFFFAOYSA-N

Details

The systematic name of 1-Actamido-3,5-dimethyladmantane is N-(3,5-dimethyltricyclo[3.3.1.13,7]dec-1-yl)acetamide. With the CAS registry number 19982-07-1, it is also named as N-(3,5-Dimethyl-1-adamantyl)-acetamide. The product is an intermediate used for preparation of Memantine. In addition, its molecular formula is C14H23NO and molecular weight is 221.34.

The other characteristics of 1-Actamido-3,5-dimethyladmantane can be summarized as: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.82; (6)ACD/BCF (pH 7.4): 77.82; (7)ACD/KOC (pH 5.5): 785.71; (8)ACD/KOC (pH 7.4): 785.71; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 64.5 cm3; (15)Molar Volume: 209.9 cm3; (16)Polarizability: 25.57×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 210 °C; (20)Melting Point: 110-111 °C; (21)Enthalpy of Vaporization: 59.29 kJ/mol; (22)Boiling Point: 348.5 °C at 760 mmHg; (23)Vapour Pressure: 5.02E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.

(1)SMILES: O=C(NC12CC3(CC(C1)(CC(C2)C3)C)C)C

(2)InChI: InChI=1/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)

(3)InChIKey: WVIRSYCDAYUOMJ-UHFFFAOYAN

(4)Std. InChI: InChI=1S/C14H23NO/c1-10(16)15-14-6-11-4-12(2,8-14)7-13(3,5-11)9-14/h11H,4-9H2,1-3H3,(H,15,16)

(5)Std. InChIKey: WVIRSYCDAYUOMJ-UHFFFAOYSA-N