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L-Glutamic acid diethyl ester HCl

CAT: 0926-FG03049-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FG03049-01Size:100 g
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CAS Number
1118-89-4
MDL Number
MFCD00012509
Smiles
CCOC (=O) CC[C@@H] (C (=O) OCC) N.Cl
Molecular Formula
C9H17NO4·HCl
Molecular Weight
239.7 g/mol
Controlled
No

Chemical Information

Glutamic acid diethyl ester hydrochloride

See also: L-Glutamic acid, diethyl ester, hydrochloride (annotation moved to).

CAS Number1118-89-4
PubChem CID73960
IUPAC Namediethyl (2S)-2-aminopentanedioate;hydrochloride
Molecular FormulaC9H18ClNO4
Molecular Weight239.69
Topological Polar Surface Area78.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count15
Formal Charge0
Complexity193
SMILES
CCOC(=O)CC[C@@H](C(=O)OCC)N.Cl
InChI
InChI=1S/C9H17NO4.ClH/c1-3-13-8(11)6-5-7(10)9(12)14-4-2;/h7H,3-6,10H2,1-2H3;1H/t7-;/m0./s1
InChIKey
WSEQLMQNPBNMSL-FJXQXJEOSA-N
Chemical Structure
2D Structure
2D structure of Glutamic acid diethyl ester hydrochloride
CAS: 1118-89-4
CID: 73960
Formula: C9H18ClNO4
MW: 239.69
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight239.69
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass239.0924357
Monoisotopic Mass239.0924357
Topological Polar Surface Area78.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes