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rac Diacetolol-d7

CAT: 0572-TRC-D305202-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D305202-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346604-19-0
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C([2H])(NCC(O)COc1ccc(NC(=O)C)cc1C(=O)C)C([2H])([2H])[2H]
Molecular Formula
C16 D7 H17 N2 O4
Molecular Weight
315.416
InChI
InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)/i1D3,2D3,10D
Additionnal Information
IUPAC name: N-[3-acetyl-4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
Shipping Conditions
Room Temperature

Chemical Information

Diacetolol D7
CAS Number1346604-19-0
PubChem CID71315864
IUPAC NameN-[3-acetyl-4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide
Molecular FormulaC16H24N2O4
Molecular Weight315.42
XLogP0.9
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity373
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
InChI
InChI=1S/C16H24N2O4/c1-10(2)17-8-14(21)9-22-16-6-5-13(18-12(4)20)7-15(16)11(3)19/h5-7,10,14,17,21H,8-9H2,1-4H3,(H,18,20)/i1D3,2D3,10D
InChIKey
AWOGXJOBNAWQSF-SVMCCORHSA-N
Chemical Structure
2D Structure
2D structure of Diacetolol D7
CAS: 1346604-19-0
CID: 71315864
Formula: C16H24N2O4
MW: 315.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.42
XLogP30.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass315.21754447
Monoisotopic Mass315.21754447
Topological Polar Surface Area87.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity373
Isotope Atom Count7
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
WDC60419-01Diacetolol d7
HY-100635SDiacetolol-d7
sc-499832Rac Diacetolol-d7
BA7364-5Diacetolol
sc-499830Rac Diacetolol
HY-100635RDiacetolol (Standard)
ID27503-01Rac-Diacetolol
RM-D650001-01Diacetolol Impurity 1
MBS6047775-01Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)
C1082Carbaryl-d7 (1-Naphthalenol Methylcarbamate-d7, 1-Naphtyl N-Methylcarbamate-d7, _x000B_ENT-23969-d7, OMS-29-d7, UC-7744-d7, Carylderm-d7, Derbac-d7, Ravyon-d7, Sevin-d7)

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