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Beta-Alanine Methyl Ester Hydrochloride

CAT: 0572-TRC-A510560-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-A510560-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3196-73-4
Synonyms
(3-Methoxy-3-oxopropyl)ammonium Chloride; 3-Aminopropanoic Acid Methyl Ester Hydrochloride; 3-Aminopropionic Acid Methyl Ester Hydrochloride; 3-Aminopropionic Acid Methyl Ester Monohydrochloride; Methyl 3-Aminopropanoate Hydrochloride; Methyl 3-Aminopropionate Hydrochloride; Methyl beta-Alaninate Hydrochloride;
Hazard Statement
No Data Available
Smiles
Cl.COC(=O)CCN
Molecular Formula
C4H10ClNO2
Molecular Weight
139.58
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Methyl 3-aminopropanoate hydrochloride
CAS Number3196-73-4
PubChem CID2734767
IUPAC Namemethyl 3-aminopropanoate;hydrochloride
Molecular FormulaC4H10ClNO2
Molecular Weight139.58
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity62
SMILES
COC(=O)CCN.Cl
InChI
InChI=1S/C4H9NO2.ClH/c1-7-4(6)2-3-5;/h2-3,5H2,1H3;1H
InChIKey
XPGRZDJXVKFLHQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 3-aminopropanoate hydrochloride
CAS: 3196-73-4
CID: 2734767
Formula: C4H10ClNO2
MW: 139.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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 Area52.3 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

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