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CAS No.: | 55264-32-9 |
---|---|
Name: | N-sec-butyl-D-gluconamide |
Molecular Structure: | |
Formula: | C10H21NO6 |
Molecular Weight: | 251.27684 |
Synonyms: | N-sec-butyl-D-gluconamide;N-(1-Methylpropyl)-D-gluconamide |
EINECS: | 259-558-0 |
Density: | 1.329g/cm3 |
Boiling Point: | 625.8 °C at 760 mmHg |
Flash Point: | 332.2 °C |
PSA: | 133.74000 |
LogP: | -1.82270 |
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The D-Gluconamide,N-(1-methylpropyl)-, with CAS registry number 55264-32-9, has the systematic name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(1-methylpropyl)hexanamide (non-preferred name). Besides this, it is also called N-sec-butyl-D-gluconamide. And the chemical formula of this chemical is C10H21NO6. What's more, its EINECS is 259-558-0.
Physical properties of D-Gluconamide,N-(1-methylpropyl)-: (1)ACD/LogP: -1.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.85; (4)ACD/LogD (pH 7.4): -1.85; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.35; (8)ACD/KOC (pH 7.4): 2.35; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 66.46 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 59.46 cm3; (15)Molar Volume: 188.9 cm3; (16)Polarizability: 23.57×10-24cm3; (17)Surface Tension: 63.5 dyne/cm; (18)Density: 1.329 g/cm3; (19)Flash Point: 332.2 °C; (20)Enthalpy of Vaporization: 106.19 kJ/mol; (21)Boiling Point: 625.8 °C at 760 mmHg; (22)Vapour Pressure: 2.78E-18 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NC(C)CC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C10H21NO6/c1-3-5(2)11-10(17)9(16)8(15)7(14)6(13)4-12/h5-9,12-16H,3-4H2,1-2H3,(H,11,17)/t5?,6-,7-,8+,9-/m1/s1
(3)InChIKey: ICMIHTLTWWCGHN-FLNDETTGBY
(4)Std. InChI: InChI=1S/C10H21NO6/c1-3-5(2)11-10(17)9(16)8(15)7(14)6(13)4-12/h5-9,12-16H,3-4H2,1-2H3,(H,11,17)/t5?,6-,7-,8+,9-/m1/s1
(5)Std. InChIKey: ICMIHTLTWWCGHN-FLNDETTGSA-N