Acetamide,N-(trans-4-hydroxycyclohexyl)- supplier

Name
TRANS-4-ACETAMIDOCYCLOHEXANOL
EINECS 248-491-2
CAS No. 27489-60-7
Article Data12
CAS DataBase
Density 1.077 g/cm³
Solubility
Melting Point 168.0 to 172.0 °C
Formula C₈H₁₅NO₂
Boiling Point 357.212 °C at 760 mmHg
Molecular Weight 157.213
Flash Point 169.836 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Acetamide,N-(4-hydroxycyclohexyl)-, trans- (8CI);trans-4-Acetamidocyclohexanol;trans-N-Acetyl-4-hydroxycyclohexylamine;N-(4-hydroxycyclohexyl)acetamide;acetamide, N-(trans-4-hydroxycyclohexyl)-;
PSA 49.33000
LogP 0.81690

Acetamide,N-(trans-4-hydroxycyclohexyl)- Specification

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

Product Name

TRANS-4-ACETAMIDOCYCLOHEXANOL

Acetamide,N-(trans-4-hydroxycyclohexyl)- Specification

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