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Glycine, N,N-dimethyl-,hydrochloride (1:1)(CAS No. 2491-06-7)

Glycine, N,N-dimethyl-,hydrochloride (1:1) C4H9NO2.HCl (cas 2491-06-7) Molecular Structure

2491-06-7 Structure

Identification and Related Records

【Name】
Glycine, N,N-dimethyl-,hydrochloride (1:1)
【CAS Registry number】
2491-06-7
【Synonyms】
Glycine,N,N-dimethyl-, hydrochloride (6CI,8CI,9CI)
(Dimethylamino)acetic acidhydrochloride
Dimethylglycine hydrochloride
N,N-Dimethylaminoacetic acidhydrochloric acid
【EINECS(EC#)】
219-648-2
【Molecular Formula】
C4H9NO2.HCl (Products with the same molecular formula)
【Molecular Weight】
139.58
【Inchi】
InChI=1/C4H9NO2.ClH/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);1H
【Canonical SMILES】
CN(C)CC(=O)O
【MOL File】
2491-06-7.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.069g/cm3
【Melting Point】
188-191℃
【Boiling Point】
175.2 ºC at 760 mmHg
【Vapour】
0.556mmHg at 25°C
【Flash Point】
59.8 ºC
【Water】
100 g/L (20℃)
【Solubilities】
Water Solubility : 100 g/L (20ºC)
【Computed Properties】
Molecular Weight:103.11976 [g/mol]
Molecular Formula:C4H9NO2
XLogP3:-2.9
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:103.063329
MonoIsotopic Mass:103.063329
Topological Polar Surface Area:40.5
Heavy Atom Count:7
Formal Charge:0
Complexity:70.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Anion Count:1
Feature 3D Cation Count:1
Effective Rotor Count:2
Conformer Sampling RMSD:0.4
CID Conformer Count:9

Safety and Handling

【Risk Statements】
R36/37/38
【Safety Statements 】
S22;S24/25
【Safety】

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and HCl.
 

Risk Statements
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany:2
RTECS:MB9995000
 
 

【Sensitive】
Hygroscopic
【Specification】

Conditions to Avoid: Incompatible materials, strong oxidants. 
Chemical Stability:Stable under normal temperatures and pressures.
Incompatibilities with Other Materials: Strong oxidizing agents. 
Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. 
Hazardous Polymerization: Has not been reported. 

【Report】

Reported in EPA TSCA Inventory.

Supplier Location

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