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CAS No.: | 27489-60-7 |
---|---|
Name: | TRANS-4-ACETAMIDOCYCLOHEXANOL |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C8H15NO2 |
Molecular Weight: | 157.213 |
Synonyms: | Acetamide,N-(4-hydroxycyclohexyl)-, trans- (8CI);trans-4-Acetamidocyclohexanol;trans-N-Acetyl-4-hydroxycyclohexylamine;N-(4-hydroxycyclohexyl)acetamide;acetamide, N-(trans-4-hydroxycyclohexyl)-; |
EINECS: | 248-491-2 |
Density: | 1.077 g/cm3 |
Melting Point: | 168.0 to 172.0 °C |
Boiling Point: | 357.212 °C at 760 mmHg |
Flash Point: | 169.836 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
Safety: | 23-24/25 |
PSA: | 49.33000 |
LogP: | 0.81690 |
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The Acetamide,N-(trans-4-hydroxycyclohexyl)-, with the CAS registry number 27489-60-7 and EINECS registry number 248-491-2, has the systematic name of N-(4-hydroxycyclohexyl)acetamide. And the molecular formula of the chemical is C8H15NO2. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes, and do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer).
The characteristics of Acetamide,N-(trans-4-hydroxycyclohexyl)- are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 16.377; (5)ACD/KOC (pH 7.4): 16.377; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 49.33 Å2; (10)Index of Refraction: 1.491; (11)Molar Refractivity: 42.297 cm3; (12)Molar Volume: 146.023 cm3; (13)Polarizability: 16.768×10-24cm3; (14)Surface Tension: 39.985 dyne/cm; (15)Density: 1.077 g/cm3; (16)Flash Point: 169.836 °C; (17)Enthalpy of Vaporization: 69.757 kJ/mol; (18)Boiling Point: 357.212 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(=O)N[C@H]1CC[C@@H](CC1)O
(2)InChI: InChI=1/C8H15NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7-8,11H,2-5H2,1H3,(H,9,10)/t7-,8-
(3)InChIKey: HWAFCRWGGRVEQL-ZKCHVHJHBO