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N-Nitroso-N-ethylaniline

CAT: 0024-sc-208050CSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-208050CSize:250 mg
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CAS Number
612-64-6

Chemical Information

N-Nitroso-N-ethylaniline

N-nitroso-n-ethylaniline appears as clear amber or yellow liquid. (NTP, 1992)

CAS Number612-64-6
PubChem CID11929
IUPAC NameN-ethyl-N-phenylnitrous amide
Molecular FormulaC8H10N2O
Molecular Weight150.18
XLogP2.1
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
CCN(C1=CC=CC=C1)N=O
InChI
InChI=1S/C8H10N2O/c1-2-10(9-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
WXRXVZXYLBWKRG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitroso-N-ethylaniline
CAS: 612-64-6
CID: 11929
Formula: C8H10N2O
MW: 150.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.18
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass150.079312947
Monoisotopic Mass150.079312947
Topological Polar Surface Area32.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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CatalogName
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N2645-12N-Nitroso-N-ethylaniline (N-Ethyl-N-nitrosoaniline, N-Nitrosoethylphenylamine) discontinued. See 285297
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459022-01N-Ethylaniline-d5
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