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3-Nitro lidocaine

CAT: 0926-FN26236-01Size: 0.01 gDry Ice: NoHazardous: No
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CAS Number
39942-49-9
Synonyms
2- (Diethylamino) -N- (2,6-dimethyl-3-nitrophenyl) acetamide;2-Diethylamino-3'-nitro-2',6'-acetoxylidide
MDL Number
MFCD00989326
Smiles
CCN (CC) CC (=O) NC1=C (C=CC (=C1C) [N+] (=O) [O-]) C
Molecular Formula
C14H21N3O3
Molecular Weight
279.33 g/mol
Controlled
No

Chemical Information

3-Nitro Lidocaine
CAS Number39942-49-9
PubChem CID58781577
IUPAC Name2-(diethylamino)-N-(2,6-dimethyl-3-nitrophenyl)acetamide
Molecular FormulaC14H21N3O3
Molecular Weight279.33
XLogP2.1
Topological Polar Surface Area78.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity339
SMILES
CCN(CC)CC(=O)NC1=C(C=CC(=C1C)[N+](=O)[O-])C
InChI
InChI=1S/C14H21N3O3/c1-5-16(6-2)9-13(18)15-14-10(3)7-8-12(11(14)4)17(19)20/h7-8H,5-6,9H2,1-4H3,(H,15,18)
InChIKey
BLYIETDHPXAQHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Nitro Lidocaine
CAS: 39942-49-9
CID: 58781577
Formula: C14H21N3O3
MW: 279.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.33
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass279.15829154
Monoisotopic Mass279.15829154
Topological Polar Surface Area78.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity339
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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