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Glycine, N,N-dimethyl-(CAS No. 1118-68-9)

Glycine, N,N-dimethyl- C4H9NO2 (cas 1118-68-9) Molecular Structure

1118-68-9 Structure

Identification and Related Records

【Name】
Glycine, N,N-dimethyl-
【CAS Registry number】
1118-68-9
【Synonyms】
(Dimethylamino)aceticacid
2-(Dimethylamino)acetic acid
2-(N,N-Dimethylamino)acetic acid
DMG
Dimethylglycine
N,N-Dimethylaminoacetic acid
N-Methylsarcosine
N,N-Dimthylglycine
【EINECS(EC#)】
214-267-8
【Molecular Formula】
C4H9NO2 (Products with the same molecular formula)
【Molecular Weight】
103.12
【Inchi】
InChI=1/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
【Canonical SMILES】
CN(C)CC(=O)O
【MOL File】
1118-68-9.mol

Chemical and Physical Properties

【Appearance】
white solid.
【Density】
1.069 g/cm3
【Melting Point】
175-181℃
【Boiling Point】
175.2 °C at 760 mmHg
【Vapour】
0.556mmHg at 25°C
【Refractive Index】
1.448
【Flash Point】
59.8 °C
【Water】
soluble
【Solubilities】
soluble
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
Store in a cool, dry place. Store in a tightly closed container.
【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

【Hazard Codes】
Xn:Harmful;
【Risk Statements】
R22
【Safety Statements 】
S24/25
【HazardClass】
IRRITANT
【Sensitive】
Hygroscopic

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