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BCI hydrochloride 10mg

CAT: 0628-A21797-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A21797-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
95130-23-7

Chemical Information

BCI hydrochloride
CAS Number95130-23-7
PubChem CID69670465
IUPAC Name(2E)-2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one;hydrochloride
Molecular FormulaC22H24ClNO
Molecular Weight353.9
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity470
SMILES
C1CCC(CC1)NC\2C3=CC=CC=C3C(=O)/C2=C/C4=CC=CC=C4.Cl
InChI
InChI=1S/C22H23NO.ClH/c24-22-19-14-8-7-13-18(19)21(23-17-11-5-2-6-12-17)20(22)15-16-9-3-1-4-10-16;/h1,3-4,7-10,13-15,17,21,23H,2,5-6,11-12H2;1H/b20-15+;
InChIKey
JPATUDRDKCLPTI-QMGGKDRNSA-N
Chemical Structure
2D Structure
2D structure of BCI hydrochloride
CAS: 95130-23-7
CID: 69670465
Formula: C22H24ClNO
MW: 353.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass353.1546421
Monoisotopic Mass353.1546421
Topological Polar Surface Area29.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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