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ABT 29666

CAT: 0013-GTR19195977-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195977-01Size:25 mg
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Description
ABT 29666
CAS Number
3365-99-9
Smiles
Clc1ccc (cc1) N=Nc1ccc (NCCCN2CCCCC2) c2CCCCc12
Molecular Formula
C24H31ClN4
Molecular Weight
410.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(3-(4-(p-Chlorophenyl-azo)-5,6,7,8-tetrahydro-1-naphthylamino)propyl)piperidine
CAS Number3365-99-9
PubChem CID197786
IUPAC Name4-[(4-chlorophenyl)diazenyl]-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
Molecular FormulaC24H31ClN4
Molecular Weight411.0
XLogP6.9
Topological Polar Surface Area40
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity499
SMILES
C1CCN(CC1)CCCNC2=C3CCCCC3=C(C=C2)N=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H31ClN4/c25-19-9-11-20(12-10-19)27-28-24-14-13-23(21-7-2-3-8-22(21)24)26-15-6-18-29-16-4-1-5-17-29/h9-14,26H,1-8,15-18H2
InChIKey
CSHZDAXDYRNRJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-(4-(p-Chlorophenyl-azo)-5,6,7,8-tetrahydro-1-naphthylamino)propyl)piperidine
CAS: 3365-99-9
CID: 197786
Formula: C24H31ClN4
MW: 411.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.0
XLogP36.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass410.2237247
Monoisotopic Mass410.2237247
Topological Polar Surface Area40 Ų
Heavy Atom Count29
Formal Charge0
Complexity499
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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