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Nafronyl-d4

CAT: 0926-QYB64928-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-QYB64928-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215649-28-7
Smiles
COC1=CC=CC=C1C2=CC=CC=C2O
Molecular Formula
C24H33NO3
Molecular Weight
387.50 g/mol
Controlled
No

Chemical Information

Nafronyl-d4
CAS Number1215649-28-7
PubChem CID46782417
IUPAC Name[1,1,2,2-tetradeuterio-2-(diethylamino)ethyl] 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Molecular FormulaC24H33NO3
Molecular Weight387.5
XLogP4.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count28
Formal Charge0
Complexity465
SMILES
[2H]C([2H])(C([2H])([2H])OC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32)N(CC)CC
InChI
InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3/i14D2,16D2
InChIKey
KBAFPSLPKGSANY-RCYYZLFTSA-N
Chemical Structure
2D Structure
2D structure of Nafronyl-d4
CAS: 1215649-28-7
CID: 46782417
Formula: C24H33NO3
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass387.27115090
Monoisotopic Mass387.27115090
Topological Polar Surface Area38.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity465
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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