N-Methylglucosamine supplier

Name
N-methylglucosamine
EINECS
CAS No. 3329-30-4
Density 1.362 g/cm³
Solubility
Melting Point
Formula C₇H₁₅NO₅
Boiling Point 470.5 °C at 760 mmHg
Molecular Weight 193.2
Flash Point 238.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms D-Glucosamine,N-methyl- (6CI);N-Methyl-D-glucosamine;N-Methylglucosamine;
PSA 110.02000
LogP -2.76080

N-Methylglucosamine Specification

The IUPAC name of N-Methylglucosamine is (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(methylamino)hexanal. With the CAS registry number 3329-30-4, it is also named as D-Glucose,2-deoxy-2-(methylamino)-. In addition, its molecular formula is C₇H₁₅NO₅ and molecular weight is 193.1977.

The other characteristics of N-Methylglucosamine can be summarized as: (1)ACD/LogP: -1.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.3; (4)ACD/LogD (pH 7.4): -2.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.58; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 57.23 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 44.23 cm³; (15)Molar Volume: 141.7 cm³; (16)Polarizability: 17.53×10^-24cm³; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.362 g/cm³; (19)Flash Point: 238.3 °C; (20)Enthalpy of Vaporization: 84.51 kJ/mol; (21)Boiling Point: 470.5 °C at 760 mmHg; (22)Vapour Pressure: 7.92E-11 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C[C@H](NC)[C@@H](O)[C@H](O)[C@H](O)CO
(2)InChI: InChI=1/C7H15NO5/c1-8-4(2-9)6(12)7(13)5(11)3-10/h2,4-8,10-13H,3H2,1H3/t4-,5+,6+,7+/m0/s1
(3)InChIKey: LDDMACCNBZAMSG-BDVNFPICBG
(4)Std. InChI: InChI=1S/C7H15NO5/c1-8-4(2-9)6(12)7(13)5(11)3-10/h2,4-8,10-13H,3H2,1H3/t4-,5+,6+,7+/m0/s1
(5)Std. InChIKey: LDDMACCNBZAMSG-BDVNFPICSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	10gm/kg (10000mg/kg)		Annales Pharmaceutiques Francaises. Vol. 20, Pg. 66, 1962.

Product Name

N-methylglucosamine

N-Methylglucosamine Specification

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