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N-Nitroso-N-methylaniline

CAT: 0024-sc-208051Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-208051Size:50 mg
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CAS Number
614-00-6

Chemical Information

N-Methyl-N-nitrosoaniline

structure

CAS Number614-00-6
PubChem CID11957
IUPAC NameN-methyl-N-phenylnitrous amide
Molecular FormulaC7H8N2O
Molecular Weight136.15
XLogP1.7
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
CN(C1=CC=CC=C1)N=O
InChI
InChI=1S/C7H8N2O/c1-9(8-10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
MAXCWSIJKVASQC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methyl-N-nitrosoaniline
CAS: 614-00-6
CID: 11957
Formula: C7H8N2O
MW: 136.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass136.063662883
Monoisotopic Mass136.063662883
Topological Polar Surface Area32.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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