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DINP-d4

CAT: 0931-TMIH-0194-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIH-0194-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1332965-90-8
Bioactivity
DINP-d4 is a deuterated compound of DINP.
Smiles
[2H]C1=C([2H])C(C(=O)OCCCCCCC(C)C)=C(C([2H])=C1[2H])C(=O)OCCCCCCC(C)C
Molecular Formula
C26H38D4O4
Molecular Weight
422.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bis(7-methyloctyl) (~2~H_4_)benzene-1,2-dicarboxylate
CAS Number1332965-90-8
PubChem CID71316285
IUPAC Namebis(7-methyloctyl) 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
Molecular FormulaC26H42O4
Molecular Weight422.6
XLogP9.6
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Heavy Atom Count30
Formal Charge0
Complexity416
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCC(C)C)C(=O)OCCCCCCC(C)C)[2H])[2H]
InChI
InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3/i11D,12D,17D,18D
InChIKey
HBGGXOJOCNVPFY-ODMBGTAASA-N
Chemical Structure
2D Structure
2D structure of Bis(7-methyloctyl) (~2~H_4_)benzene-1,2-dicarboxylate
CAS: 1332965-90-8
CID: 71316285
Formula: C26H42O4
MW: 422.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.6
XLogP39.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass422.33341680
Monoisotopic Mass422.33341680
Topological Polar Surface Area52.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity416
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS6168638-01POLK (Polymerase (DNA Directed) kappa, DINB1, DINP) (APC)
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