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Sarcosine methyl ester hydrochloride

CAT: 0926-FS37426-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FS37426-01Size:0.25 kg
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CAS Number
13515-93-0
MDL Number
MFCD00038876
Smiles
CNCC (=O) OC.Cl
Molecular Formula
C4H9NO2·HCl
Molecular Weight
139.58 g/mol
Controlled
No

Chemical Information

Glycine, N-methyl-, methyl ester, hydrochloride (1:1)
CAS Number13515-93-0
PubChem CID83544
IUPAC Namemethyl 2-(methylamino)acetate;hydrochloride
Molecular FormulaC4H10ClNO2
Molecular Weight139.58
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
CNCC(=O)OC.Cl
InChI
InChI=1S/C4H9NO2.ClH/c1-5-3-4(6)7-2;/h5H,3H2,1-2H3;1H
InChIKey
HQZMRJBVCVYVQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glycine, N-methyl-, methyl ester, hydrochloride (1:1)
CAS: 13515-93-0
CID: 83544
Formula: C4H10ClNO2
MW: 139.58
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.58
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass139.0400063
Monoisotopic Mass139.0400063
Topological Polar Surface Area38.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity62.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes