-
Name
N-(1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl)acetamide
- EINECS
- CAS No. 249289-10-9
- Article Data11
- CAS DataBase
- Density 1.035 g/cm3
- Solubility
- Melting Point
- Formula C21H35NO3
- Boiling Point 567.879 °C at 760 mmHg
- Molecular Weight 349.514
- Flash Point 297.243 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms n-(1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl)acetamide
- PSA 69.56000
- LogP 3.77260
Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]- Specification
The Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]- is an organic compound with the formula C21H35NO3. With the CAS registry number 249289-10-9, the systematic name of this chemical is N-[1-hydroxy-2-(hydroxymethyl)-4-(4-octylphenyl)butan-2-yl]acetamide.
Physical properties about Acetamide, N-[1,1-bis(hydroxymethyl)-3-(4-octylphenyl)propyl]- are: (1)ACD/LogP: 4.29; (2)ACD/LogD (pH 5.5): 5; (3)ACD/LogD (pH 7.4): 5; (4)ACD/BCF (pH 5.5): 4730; (5)ACD/BCF (pH 7.4): 4730; (6)ACD/KOC (pH 5.5): 14861; (7)ACD/KOC (pH 7.4): 14861; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 15; (11)Polar Surface Area: 69.56 Å2; (12)Index of Refraction: 1.522; (13)Molar Refractivity: 102.973 cm3; (14)Molar Volume: 337.638 cm3; (15)Polarizability: 40.822×10-24cm3; (16)Surface Tension: 42.027 dyne/cm; (17)Density: 1.035 g/cm3; (18)Flash Point: 297.243 °C; (19)Enthalpy of Vaporization: 89.673 kJ/mol; (20)Boiling Point: 567.879 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(CCc1ccc(cc1)CCCCCCCC)(CO)CO)C
(2)InChI: InChI=1/C21H35NO3/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-23,17-24)22-18(2)25/h10-13,23-24H,3-9,14-17H2,1-2H3,(H,22,25)
(3)InChIKey: XDKYDMHKJNIXAT-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C21H35NO3/c1-3-4-5-6-7-8-9-19-10-12-20(13-11-19)14-15-21(16-23,17-24)22-18(2)25/h10-13,23-24H,3-9,14-17H2,1-2H3,(H,22,25)
(5)Std. InChIKey: XDKYDMHKJNIXAT-UHFFFAOYSA-N
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