Products for Research Use Only
RegisterLogin

Cisanilide

CAT: 0926-JBA48477-04Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-JBA48477-04Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
34484-77-0
Smiles
CC1CCC (N1C (=O) NC2=CC=CC=C2) C
Molecular Formula
C13H18N2O
Molecular Weight
218.29 g/mol
Controlled
No

Chemical Information

Cisanilide
CAS Number34484-77-0
PubChem CID20055554
IUPAC Name(2S,5R)-2,5-dimethyl-N-phenylpyrrolidine-1-carboxamide
Molecular FormulaC13H18N2O
Molecular Weight218.29
XLogP2.5
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity238
SMILES
C[C@@H]1CC[C@@H](N1C(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C13H18N2O/c1-10-8-9-11(2)15(10)13(16)14-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,14,16)/t10-,11+
InChIKey
XJPOOEMIUDHWSO-PHIMTYICSA-N
Chemical Structure
2D Structure
2D structure of Cisanilide
CAS: 34484-77-0
CID: 20055554
Formula: C13H18N2O
MW: 218.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.29
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass218.141913202
Monoisotopic Mass218.141913202
Topological Polar Surface Area32.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products