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Levocarnitine Impurity 1

CAT: 1299-RM-L220301-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L220301-02Size:25 mg
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CAS Number
6778-30-9
Synonyms
(E) -4- (trimethylammonio) but-2-enoate
Molecular Formula
C7H13NO2
Molecular Weight
143.18
Target Alternative Name
Levocarnitine
Product Name Synonym
(E) -4- (trimethylammonio) but-2-enoate

Chemical Information

Crotonic acid betaine

4-(trimethylammonio)but-2-enoate is an amino-acid betaine. It is functionally related to a but-2-enoate. It is a conjugate base of a 4-(trimethylammonio)but-2-enoic acid.

CAS Number6778-30-9
PubChem CID5462194
IUPAC Name(E)-4-(trimethylazaniumyl)but-2-enoate
Molecular FormulaC7H13NO2
Molecular Weight143.18
XLogP0.7
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity139
SMILES
C[N+](C)(C)C/C=C/C(=O)[O-]
InChI
InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
InChIKey
GUYHPGUANSLONG-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of Crotonic acid betaine
CAS: 6778-30-9
CID: 5462194
Formula: C7H13NO2
MW: 143.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight143.18
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass143.094628657
Monoisotopic Mass143.094628657
Topological Polar Surface Area40.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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