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N,N-Dimethylglycine

N,N-Dimethylglycine structure

CAS No:
1118-68-9
Formula:
C4H9NO2
Chemical Name:
N,N-Dimethylglycine
Synonyms:
Glycine,N,N-dimethyl-;N,N-Dimethylglycine;Dimethylglycine;N-Methylsarcosine;(Dimethylamino)acetic acid;N,N-Dimethylaminoacetic acid;2-(Dimethylamino)acetic acid;2-(N,N-Dimethylamino)acetic acid;46: PN: WO2008005407 PAGE: 5 claimed protein;DMG;2-(Dimethylazaniumyl)acetate;780741-89-1
Categories:
Pharmaceutical Intermediates > Antipsychotics

Description

white to slightly yellow crystalline powderChEBI: An N-methylglycine that is glycine carrying two N-methyl substituents.N,N-Dimethylglycine (DMG) is a N-methylated product of the amino acid glycine. It is found in beans and liver. It is used in comparative analysis with other N-methylated glycines. N,N-Dimethylglycine is used in the development of glycine-based ionic liquids and emulsifiers, and as a substrate to identify, differentiate and characterize amino acid methyltransferase(s). It can b

Solid

N,N-dimethylglycine is an N-methylglycine that is glycine carrying two N-methyl substituents. It has a role as a human metabolite, a Daphnia magna metabolite and a mouse metabolite. It is a N-methyl-amino acid and a member of N-methylglycines. It is a tautomer of a N,N-dimethylglycine zwitterion.

N,N-Dimethylglycine Basic Attributes

Molecular Weight：

103.12

Exact Mass：

103.12

EC Number：

214-267-8

UNII：

7797M4CPPA

DSSTox ID：

DTXSID6074336

HScode：

29224999

Characteristics

PSA：

40.5

XLogP3：

-2.9

Appearance：

White to slightly yellow Crystalline Powder

Density：

1 g/cm 3

Melting Point：

182-183 °C

Boiling Point：

63.9

Flash Point：

59.8±22.6 °C

Refractive Index：

1.4674 (estimate)

Water Solubility：

soluble

PKA：

2.04None

Dissociation Constants：

2.04

Collision Cross Section：

119.7 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|116 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine]|123.1 Å² [M+H]+

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

24/25-36/37-26

RTECS Number：

MB9865000

Marks：

Xn,Xi

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 108 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

dimethylglycine

N,N-Dimethylglycine Use and Manufacturing

Uses

Dimethylglycine has been suggested for use as an athletic performance enhancer, immunostimulant, and a treatment for autism, epilepsy, or mitochondrial disease . Published studies on the subject have shown little to no difference between DMG treatment and placebo in autism spectrum disorders.

Manufacturing Info：

Glycine, N,N-dimethyl-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:103.12
XLogP3:-2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:103.063328530
Monoisotopic Mass:103.063328530
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Complexity:70.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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