CAS No.85316-98-9,MEGA-8 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	85316-98-9
Name:	MEGA-8
Article Data:	1

Formula:	C₁₅H₃₁NO₆
Molecular Weight:	321.414
Synonyms:	N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide;
EINECS:	617-702-3
Density:	1.192 g/cm³
Melting Point:	80-90℃
Boiling Point:	581.8 °C at 760 mmHg
Flash Point:	581.8 °C at 760 mmHg
Solubility:	Soluble in water (10%).
Hazard Symbols:	F,C
Risk Codes:	11-34
Safety:	16-26-36/37/39-45
PSA:	121.46000
LogP:	-0.75880

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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