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ent-Calindol Amide-13C

CAT: 0572-TRC-C148653-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C148653-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1217724-96-3
Synonyms
(S)-N-[1-(1-Naphthyl)ethyl]indole-2-carboxamide-13C; N-[(1S)-1-(1-Naphthalenyl)ethyl]-1H-Indole-2-carboxamide-13C;
Hazard Statement
No Data Available
Smiles
C[C@H](N[13C](=O)c1cc2ccccc2[nH]1)c3cccc4ccccc34
Molecular Formula
13C1C20H18N2O
Molecular Weight
315.37
Shipping Conditions
Room Temperature

Chemical Information

ent-Calindol Amide-13C
CAS Number1217724-96-3
PubChem CID71314480
IUPAC NameN-[(1S)-1-naphthalen-1-ylethyl]-1H-indole-2-carboxamide
Molecular FormulaC21H18N2O
Molecular Weight315.4
XLogP4.8
Topological Polar Surface Area44.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity451
SMILES
C[C@@H](C1=CC=CC2=CC=CC=C21)N[13C](=O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C21H18N2O/c1-14(17-11-6-9-15-7-2-4-10-18(15)17)22-21(24)20-13-16-8-3-5-12-19(16)23-20/h2-14,23H,1H3,(H,22,24)/t14-/m0/s1/i21+1
InChIKey
XLXUKYDIQFPOCY-ORRZGNCYSA-N
Chemical Structure
2D Structure
2D structure of ent-Calindol Amide-13C
CAS: 1217724-96-3
CID: 71314480
Formula: C21H18N2O
MW: 315.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.4
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass315.145268037
Monoisotopic Mass315.145268037
Topological Polar Surface Area44.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity451
Isotope Atom Count1
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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