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Lenvatinib Mesilate Impurity 1

CAT: 1299-RM-L070002-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-L070002-01Size:10 mg
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CAS Number
3251-07-8
Molecular Formula
C5H11NO2
Molecular Weight
117.15
Product Name Synonym
Methyl 4-aminobutanoate

Chemical Information

Methyl 4-aminobutanoate

Methyl 4-aminobutanoate is a methyl ester resulting from the formal condensation of gamma-aminobutyric acid with methanol. It is a methyl ester, an amino-acid ester and a primary amino compound. It is functionally related to a gamma-aminobutyric acid.

CAS Number3251-07-8
PubChem CID18614
IUPAC Namemethyl 4-aminobutanoate
Molecular FormulaC5H11NO2
Molecular Weight117.15
XLogP-0.2
Topological Polar Surface Area52.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
COC(=O)CCCN
InChI
InChI=1S/C5H11NO2/c1-8-5(7)3-2-4-6/h2-4,6H2,1H3
InChIKey
KVQGGLZHHFGHPU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 4-aminobutanoate
CAS: 3251-07-8
CID: 18614
Formula: C5H11NO2
MW: 117.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight117.15
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass117.078978594
Monoisotopic Mass117.078978594
Topological Polar Surface Area52.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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