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N-Octanoyl-N-methylglucamine

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Name

N-Octanoyl-N-methylglucamine

EINECS 617-702-3
CAS No. 85316-98-9 Density 1.192 g/cm3
PSA 121.46000 LogP -0.75880
Solubility Soluble in water (10%). Melting Point 80-90℃
Formula C15H31NO6 Boiling Point 581.8 °C at 760 mmHg
Molecular Weight 321.414 Flash Point 581.8 °C at 760 mmHg
Transport Information N/A Appearance N/A
Safety 16-26-36/37/39-45 Risk Codes 11-34
Molecular Structure Molecular Structure of 85316-98-9 (MEGA-8) Hazard Symbols F,C
Synonyms

N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide;

Article Data 1

N-Octanoyl-N-methylglucamine Specification

The N-Octanoyl-N-methylglucamine, with the CAS registry number of 85316-98-9, is also known as N-Octanoyl-N-methyl-D-glucamine. This chemical's molecular formula is C15H31NO6 and molecular weight is 321.41. What's more, its IUPAC name is N-Methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the are: (1)ACD/LogP: -0.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.28; (4)ACD/LogD (pH 7.4): -0.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.83; (8)ACD/KOC (pH 7.4): 16.83; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 17; (12)Polar Surface Area: 66.46 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 82.8 cm3; (15)Molar Volume: 269.5 cm3; (16)Surface Tension: 54.6 dyne/cm; (17)Density: 1.192 g/cm3; (18)Flash Point: 581.8 °C at 760 mmHg; (19)Enthalpy of Vaporization: 99.88 kJ/mol; (20)Boiling Point: 581.8 °C at 760 mmHg; (21)Vapour Pressure: 5.88E-16 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, keep it away from sources of ignition. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, it may causes burns.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(N(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCCCCC
(2) InChI:InChI=1/C15H31NO6/c1-3-4-5-6-7-8-13(20)16(2)9-11(18)14(21)15(22)12(19)10-17/h11-12,14-15,17-19,21-22H,3-10H2,1-2H3/t11-,12+,14+,15+/m0/s1
(3) InChIKey:SBWGZAXBCCNRTM-CTHBEMJXBI

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