Cyclohexanone, 4-(methylamino)- supplier

Name
4-(METHYLAMINO)CYCLOHEXANONE HYDROCHLORIDE
EINECS
CAS No. 2976-84-3
Article Data5
CAS DataBase
Density 0.969 g/cm³
Solubility
Melting Point
Formula C₇H₁₃NO
Boiling Point 209.184 °C at 760 mmHg
Molecular Weight 127.186
Flash Point 90.795 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(Methylamino)cyclohexanone;
PSA 29.10000
LogP 1.91040

Cyclohexanone, 4-(methylamino)- Specification

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

Product Name

4-(METHYLAMINO)CYCLOHEXANONE HYDROCHLORIDE

Cyclohexanone, 4-(methylamino)- Specification

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