HCID673

N,N-Dimethylglycine

2-(dimethylamino)acetic acid

C4H9NO2103.12 g/molCAS 1118-68-9

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IDENTITY

结构与身份

标准SMILES: CN(C)CC(=O)O
InChIKey: FFDGPVCHZBVARC-UHFFFAOYSA-N
分子式: C4H9NO2
平均分子量: 103.12 g/mol
单同位素质量: 103.06332853

COMPUTED

结构计算性质

已同步

XLogP: -2.9
极性表面积: 40.5 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 7
形式电荷: 0
复杂度: 70

PROPERTIES

实验与物化性质

LogP

-2.91

Boiling Point

63.9

Melting Point

185.5

185.5 °C

Physical Description

Solid

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]+

GHS

GHS分类

GHS Classification

This chemical does not meet GHS hazard criteria for 53.2% (58 of 109) of all reports.

Warning

H302 (46.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 109 reports by companies from 4 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 58 of 109 reports by companies.；There are 3 notifications provided by 51 of 109 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

Regulatory Information

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 22-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19838

Dimethylglycine: Non hazardous

Hazard Classes and Categories

Acute Tox. 4 (46.8%)

REGULATORY

法规信息

Regulatory Information

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 22-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19838

Dimethylglycine: Non hazardous

PHARMACOLOGY

药理信息

Tissue Locations

Kidney；Liver；Placenta

Cellular Locations

Cytoplasm；Mitochondria

Metabolite Pathways

3-Phosphoglycerate dehydrogenase deficiency；Cystathionine Beta-Synthase Deficiency；Dihydropyrimidine Dehydrogenase Deficiency (DHPD)；Dimethylglycine Dehydrogenase Deficiency；Dimethylglycine Dehydrogenase Deficiency；Glycine N-methyltransferase Deficiency；Glycine, serine and threonine metabolism；Glycine, serine and threonine metabolism；Homocystinuria-megaloblastic anemia due to defect in cobalamin metabolism, cblG complementation type；Hyperglycinemia, non-ketotic；Total 18 pathways, visit the HMDB page for details

USES

用途与制造

General Manufacturing Information

Glycine, N,N-dimethyl-: ACTIVE

ALIASES

名称与别名

共 83 条

N,N-dimethylglycine1118-68-9dimethylglycine2-(dimethylamino)acetic acid(Dimethylamino)acetic acidN-Methylsarcosineglycine, N,N-dimethyl-N,N-Dimethylaminoacetic acid7797M4CPPADTXSID6074336CHEBI:177242-(dimethylazaniumyl)acetateRefChem:57349DTXCID1033244214-267-8N,N-Dimethyl GlycineMFCD00004283dimethyl glycineBRN 1700261DMG

REACTIONS