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H-Ala-OEt.HCl

CAT: 0607-A6769-25000Size: 25 gDry Ice: NoHazardous: No
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CAT#:0607-A6769-25000Size:25 g
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CAS Number
1115-59-9
Product Name Alternative
ethyl (2S)-2-aminopropanoate;hydrochloride
Purity
0.98
Smiles
CCOC(=O)C(C)N.Cl
Molecular Formula
C5H12ClNO2
Molecular Weight
153.61
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Alanine, ethyl ester, hydrochloride (1:1)
CAS Number1115-59-9
PubChem CID102560
IUPAC Nameethyl 2-aminopropanoate;hydrochloride
Molecular FormulaC5H12ClNO2
Molecular Weight153.61
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity82
SMILES
CCOC(=O)C(C)N.Cl
InChI
InChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H
InChIKey
JCXLZWMDXJFOOI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alanine, ethyl ester, hydrochloride (1:1)
CAS: 1115-59-9
CID: 102560
Formula: C5H12ClNO2
MW: 153.61
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight153.61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass153.0556563
Monoisotopic Mass153.0556563
Topological Polar Surface Area52.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity82.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes