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U 92016A Hydrochloride

CAT: 0024-sc-204363ASize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204363ASize:50 mg
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CAS Number
149654-41-1

Chemical Information

3H-Benz(e)indole-2-carbonitrile, 8-(dipropylamino)-6,7,8,9-tetrahydro-, hydrochloride (1:1), (8R)-
CAS Number149654-41-1
PubChem CID56972129
IUPAC Name(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carbonitrile;hydrochloride
Molecular FormulaC19H26ClN3
Molecular Weight331.9
Topological Polar Surface Area42.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity406
SMILES
CCCN(CCC)[C@@H]1CCC2=C(C1)C3=C(C=C2)NC(=C3)C#N.Cl
InChI
InChI=1S/C19H25N3.ClH/c1-3-9-22(10-4-2)16-7-5-14-6-8-19-18(17(14)12-16)11-15(13-20)21-19;/h6,8,11,16,21H,3-5,7,9-10,12H2,1-2H3;1H/t16-;/m1./s1
InChIKey
XHLKAMFNZKKRFJ-PKLMIRHRSA-N
Chemical Structure
2D Structure
2D structure of 3H-Benz(e)indole-2-carbonitrile, 8-(dipropylamino)-6,7,8,9-tetrahydro-, hydrochloride (1:1), (8R)-
CAS: 149654-41-1
CID: 56972129
Formula: C19H26ClN3
MW: 331.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass331.1815255
Monoisotopic Mass331.1815255
Topological Polar Surface Area42.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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