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N,N-Diethyl-1-naphthamide

CAT: 0572-TRC-D444610-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D444610-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5454-10-4
Hazard Statement
No Data Available
Smiles
CCN(CC)C(=O)c1cccc2ccccc12
Molecular Formula
C15 H17 N O
Molecular Weight
227.3
InChI
InChI=1S/C15H17NO/c1-3-16(4-2)15(17)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
Additionnal Information
IUPAC name: N,N-diethylnaphthalene-1-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

N,N-Diethyl-1-naphthamide
CAS Number5454-10-4
PubChem CID229388
IUPAC NameN,N-diethylnaphthalene-1-carboxamide
Molecular FormulaC15H17NO
Molecular Weight227.30
XLogP3.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity260
SMILES
CCN(CC)C(=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H17NO/c1-3-16(4-2)15(17)14-11-7-9-12-8-5-6-10-13(12)14/h5-11H,3-4H2,1-2H3
InChIKey
SZOIQCLRXFNYCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-Diethyl-1-naphthamide
CAS: 5454-10-4
CID: 229388
Formula: C15H17NO
MW: 227.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.30
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass227.131014166
Monoisotopic Mass227.131014166
Topological Polar Surface Area20.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity260
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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