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Ramifenazone-d7

CAT: 0024-sc-476770Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-476770Size:5 mg
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CAS Number
1330180-51-2

Chemical Information

Ramifenazone-d7
CAS Number1330180-51-2
PubChem CID71751962
IUPAC Name4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Molecular FormulaC14H19N3O
Molecular Weight252.36
XLogP1.6
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity356
SMILES
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C14H19N3O/c1-10(2)15-13-11(3)16(4)17(14(13)18)12-8-6-5-7-9-12/h5-10,15H,1-4H3/i1D3,2D3,10D
InChIKey
XOZLRRYPUKAKMU-SVMCCORHSA-N
Chemical Structure
2D Structure
2D structure of Ramifenazone-d7
CAS: 1330180-51-2
CID: 71751962
Formula: C14H19N3O
MW: 252.36
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight252.36
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass252.196749460
Monoisotopic Mass252.196749460
Topological Polar Surface Area35.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity356
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes