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Cholesterylaniline

CAT: 0931-TCL-00210-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0931-TCL-00210-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
7510-04-5
Bioactivity
Cholesterylaniline is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](NC5=CC=CC=C5)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Molecular Formula
C33H51N
Molecular Weight
461.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-Phenylcholest-5-en-3-amine
CAS Number7510-04-5
PubChem CID347370
IUPAC Name10,13-dimethyl-17-(6-methylheptan-2-yl)-N-phenyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine
Molecular FormulaC33H51N
Molecular Weight461.8
XLogP10.9
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity716
SMILES
CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)NC5=CC=CC=C5)C)C
InChI
InChI=1S/C33H51N/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-25-22-27(34-26-12-7-6-8-13-26)18-20-32(25,4)31(28)19-21-33(29,30)5/h6-8,12-14,23-24,27-31,34H,9-11,15-22H2,1-5H3
InChIKey
QLUKVXBTMCXYMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Phenylcholest-5-en-3-amine
CAS: 7510-04-5
CID: 347370
Formula: C33H51N
MW: 461.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.8
XLogP310.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count7
Exact Mass461.402150631
Monoisotopic Mass461.402150631
Topological Polar Surface Area12 Ų
Heavy Atom Count34
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
sc-211087Cholesterylaniline
C20770-01N-Cholesterylaniline

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