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NSC 6038

CAT: 1410-M19356-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M19356-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
——
CAS Number
2447-87-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
239.74
Molecular Formula
C13H18ClNO
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

4-Chloro-n,n-dipropylbenzamide
CAS Number2447-87-2
PubChem CID221452
IUPAC Name4-chloro-N,N-dipropylbenzamide
Molecular FormulaC13H18ClNO
Molecular Weight239.74
XLogP3.8
Topological Polar Surface Area20.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity206
SMILES
CCCN(CCC)C(=O)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H18ClNO/c1-3-9-15(10-4-2)13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10H2,1-2H3
InChIKey
XKGIVKGUUFHCHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-n,n-dipropylbenzamide
CAS: 2447-87-2
CID: 221452
Formula: C13H18ClNO
MW: 239.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.74
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass239.1076919
Monoisotopic Mass239.1076919
Topological Polar Surface Area20.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity206
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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