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CAS No.: | 2976-84-3 |
---|---|
Name: | 4-(METHYLAMINO)CYCLOHEXANONE HYDROCHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C7H13NO |
Molecular Weight: | 127.186 |
Synonyms: | 4-(Methylamino)cyclohexanone; |
Density: | 0.969 g/cm3 |
Boiling Point: | 209.184 °C at 760 mmHg |
Flash Point: | 90.795 °C |
PSA: | 29.10000 |
LogP: | 1.91040 |
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The Cyclohexanone, 4-(methylamino)-, with the CAS registry number 2976-84-3, has the systematic name of 4-(methylamino)cyclohexanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C7H13NO.
The characteristics of Cyclohexanone, 4-(methylamino)- are as followings: (1)ACD/LogP: -0.22; (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: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 29.1 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 36.153 cm3; (13)Molar Volume: 131.184 cm3; (14)Polarizability: 14.332×10-24cm3; (15)Surface Tension: 32.055 dyne/cm; (16)Density: 0.969 g/cm3; (17)Flash Point: 90.795 °C; (18)Enthalpy of Vaporization: 44.545 kJ/mol; (19)Boiling Point: 209.184 °C at 760 mmHg; (20)Vapour Pressure: 0.206 mmHg at 25°C.
Uses of Cyclohexanone, 4-(methylamino)-: It can react with nitroso-carbamic acid methyl ester to produce (+/-)-4-methylaminocycloheptanone. And the yield is about 71%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C1CCC(NC)CC1
(2)InChI: InChI=1/C7H13NO/c1-8-6-2-4-7(9)5-3-6/h6,8H,2-5H2,1H3
(3)InChIKey: KJIMZXWXSLVBEO-UHFFFAOYAG