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2491-06-7 molecular structure
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2-(dimethylamino)acetic acid hydrochloride

ChemBase ID: 102417
Molecular Formular: C4H10ClNO2
Molecular Mass: 139.5807
Monoisotopic Mass: 139.04000625
SMILES and InChIs

SMILES:
Cl.CN(C)CC(=O)O
Canonical SMILES:
CN(CC(=O)O)C.Cl
InChI:
InChI=1S/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
InChIKey:
FKASAVXZZLJTNX-UHFFFAOYSA-N

Cite this record

CBID:102417 http://www.chembase.cn/molecule-102417.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(dimethylamino)acetic acid hydrochloride
IUPAC Traditional name
dimethylglycine hydrochloride
Synonyms
N,N-DIMETHYLAMINOACETIC ACID HCl
2-(dimethylamino)acetic acid hydrochloride
N,N-Dimethylaminoacetic acid hydrochloride
N,N-Dimethylglycine hydrochloride
N-Methylsarcosine hydrochloride
(Dimethylamino)acetic acid hydrochloride
N,N-DIMETHYLGLYCINE HYDROCHLORIDE
N,N-二甲基甘氨酸盐酸盐
CAS Number
2491-06-7
EC Number
219-648-2
MDL Number
MFCD00012610
Beilstein Number
3910578
Merck Index
143244
PubChem SID
24865219
24894022
162088485
PubChem CID
75605

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8808128  H Acceptors
H Donor LogD (pH = 5.5) -3.060791 
LogD (pH = 7.4) -3.0625443  Log P -3.0607824 
Molar Refractivity 26.0727 cm3 Polarizability 10.177998 Å3
Polar Surface Area 40.54 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
189-194 °C(lit.) expand Show data source
189-194°C expand Show data source
189-194°C expand Show data source
190-193 °C (dec.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
Storage Warning
Hygroscopic expand Show data source
RTECS
MB9995000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥99.0% (AT) expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Salt Data
HCl expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Linear Formula
(CH3)2NCH2COOH · HCl expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05202366 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02101597 external link
Hydrochloride
Crystalline
Sigma Aldrich - D6382 external link
Biochem/physiol Actions
N,N-Dimethylglycine (DMG) is a natural N-methylated glycine that is used in comparative analysis with other N-methylated glycines such as sarcosine and βine. N,N-Dimethylglycine is used in the development of glycine-based ionic liquids and emulsifiers. N,N-Dimethylglycine is potentially useful as a biomarker of protein degradation in COPD patients. DMG is used as a substrate to identify, differentiate and characterize amino acid methyltransferase(s).

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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