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AM2233 Azepane Isomer

CAT: 0572-TRC-A729333-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A729333-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432478-91-5
Hazard Statement
No Data Available
Smiles
CN1CCCCC(C1)n2cc(C(=O)c3ccccc3I)c4ccccc24
Molecular Formula
C22H23IN2O
Molecular Weight
458.3
Shipping Conditions
Room Temperature

Chemical Information

am2233 azepane isomer
CAS Number1432478-91-5
PubChem CID91698430
IUPAC Name(2-iodophenyl)-[1-(1-methylazepan-3-yl)indol-3-yl]methanone
Molecular FormulaC22H23IN2O
Molecular Weight458.3
XLogP4.8
Topological Polar Surface Area25.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity499
SMILES
CN1CCCCC(C1)N2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC=C4I
InChI
InChI=1S/C22H23IN2O/c1-24-13-7-6-8-16(14-24)25-15-19(17-9-3-5-12-21(17)25)22(26)18-10-2-4-11-20(18)23/h2-5,9-12,15-16H,6-8,13-14H2,1H3
InChIKey
GSXZMBIYSUZVEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of am2233 azepane isomer
CAS: 1432478-91-5
CID: 91698430
Formula: C22H23IN2O
MW: 458.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.3
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass458.08551
Monoisotopic Mass458.08551
Topological Polar Surface Area25.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HHC47891-01Am2233 azepane isomer
YDC08104-01Am1220 azepane isomer
440655-01AB-005 Azepane Isomer
CS-T-94333AB-005 Azepane Isomer-D3
440656AB-005 Azepane Isomer-D4
MBS132046-01AM2233
SCA65147-01Azepane-1-carboxamide
RMC57476-013- (Methoxymethyl) azepane
OR1024546-01Azepane-1-Carbaldehyde
OR1063168-01Azepane-2-thione

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