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N-Nitroso-Naphazoline

CAT: 0572-TRC-N332785-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N332785-10MGSize:10 mg
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CAS Number
2703749-87-3
Synonyms
N-Nitroso Naphazoline; Imidazolidine, 2-(1-naphthalenylmethylene)-1-nitroso-; 2-(1-Naphthalenylmethylene)-1-nitroso-imidazolidine
Hazard Statement
Fatal if swallowed; UN number: UN2811; Packing Group: II
Purity
>95% (HPLC)
Smiles
O=NN1CCN/C/1=C\c2cccc3ccccc23
Molecular Formula
C14 H13 N3 O
Molecular Weight
239.273
InChI
InChI=1S/C14H13N3O/c18-16-17-9-8-15-14(17)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10,15H,8-9H2/b14-10+
Additionnal Information
IUPAC name: (2E)-2-(naphthalen-1-ylmethylidene)-1-nitrosoimidazolidine

Chemical Information

N-Nitroso Naphazoline
CAS Number2703749-87-3
PubChem CID169444592
IUPAC Name(2E)-2-(naphthalen-1-ylmethylidene)-1-nitrosoimidazolidine
Molecular FormulaC14H13N3O
Molecular Weight239.27
XLogP3.4
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity342
SMILES
C1CN(/C(=C/C2=CC=CC3=CC=CC=C32)/N1)N=O
InChI
InChI=1S/C14H13N3O/c18-16-17-9-8-15-14(17)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,10,15H,8-9H2/b14-10+
InChIKey
QFHFCHAUHARXQY-GXDHUFHOSA-N
Chemical Structure
2D Structure
2D structure of N-Nitroso Naphazoline
CAS: 2703749-87-3
CID: 169444592
Formula: C14H13N3O
MW: 239.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.27
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass239.105862047
Monoisotopic Mass239.105862047
Topological Polar Surface Area44.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity342
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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