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Ethylmethylcarbamic chloride

CAT: 0127-BIB6299-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-BIB6299-01Size:25 g
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CAS Number
42252-34-6
MDL Number
MFCD08061404
Smiles
CCN(C)C(=O)Cl
Storage Conditions
Store at 2-8°C

Chemical Information

N-Ethyl-N-methylcarbamoyl chloride
CAS Number42252-34-6
PubChem CID11240471
IUPAC NameN-ethyl-N-methylcarbamoyl chloride
Molecular FormulaC4H8ClNO
Molecular Weight121.56
XLogP1.2
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity74
SMILES
CCN(C)C(=O)Cl
InChI
InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3
InChIKey
XZVYDRLPXWFRIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Ethyl-N-methylcarbamoyl chloride
CAS: 42252-34-6
CID: 11240471
Formula: C4H8ClNO
MW: 121.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight121.56
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass121.0294416
Monoisotopic Mass121.0294416
Topological Polar Surface Area20.3 Ų
Heavy Atom Count7
Formal Charge0
Complexity74.1
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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