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Methyl Valerimidate, Hydrochloride

CAT: 0024-sc-211890Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-211890Size:1 g
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CAS Number
39739-46-3

Chemical Information

Methyl valerimidate hydrochloride
CAS Number39739-46-3
PubChem CID5743465
IUPAC Namemethyl pentanimidate;hydrochloride
Molecular FormulaC6H14ClNO
Molecular Weight151.63
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity70
SMILES
CCCCC(=N)OC.Cl
InChI
InChI=1S/C6H13NO.ClH/c1-3-4-5-6(7)8-2;/h7H,3-5H2,1-2H3;1H
InChIKey
UAIVSGKSLHIONB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl valerimidate hydrochloride
CAS: 39739-46-3
CID: 5743465
Formula: C6H14ClNO
MW: 151.63
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.63
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass151.0763918
Monoisotopic Mass151.0763918
Topological Polar Surface Area33.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity70.9
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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