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Ethyl propionimidate hydrochloride

CAT: 0926-QBA54635-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-QBA54635-01Size:250 mg
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CAS Number
40546-35-8
MDL Number
MFCD00040974
Smiles
CCC (=N) OCC.Cl
Molecular Formula
C5H12ClNO
Molecular Weight
137.61 g/mol
Controlled
No

Chemical Information

Ethyl propanecarboximidate hydrochloride
CAS Number40546-35-8
PubChem CID13000588
IUPAC Nameethyl propanimidate;hydrochloride
Molecular FormulaC5H12ClNO
Molecular Weight137.61
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity61
SMILES
CCC(=N)OCC.Cl
InChI
InChI=1S/C5H11NO.ClH/c1-3-5(6)7-4-2;/h6H,3-4H2,1-2H3;1H
InChIKey
ATZIPACKTBIFAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl propanecarboximidate hydrochloride
CAS: 40546-35-8
CID: 13000588
Formula: C5H12ClNO
MW: 137.61
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight137.61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass137.0607417
Monoisotopic Mass137.0607417
Topological Polar Surface Area33.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity61.1
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