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1-Benzhydrylpiperazine-d8

CAT: 0572-TRC-B196952-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B196952-100MGSize:100 mg
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CAS Number
1330188-81-2
Synonyms
1-(Diphenylmethyl)piperazine-d8; 4-(Diphenylmethyl)piperazine-d8; 4-Benzhydrylpiperazine-d8; Benzhydrylpiperazine-d8; N-(Diphenylmethyl)piperazine-d8; N-Benzhydrylpiperazine-d8; NSC 35536-d8; Norcyclizine-d8;
Hazard Statement
No Data Available; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C1([2H])NC([2H])([2H])C([2H])([2H])N(C(c2ccccc2)c3ccccc3)C1([2H])[2H]
Molecular Formula
C17H12D8N2
Molecular Weight
260.4
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Benzhydrylpiperazine-d8
CAS Number1330188-81-2
PubChem CID71313681
IUPAC Name1-benzhydryl-2,2,3,3,5,5,6,6-octadeuteriopiperazine
Molecular FormulaC17H20N2
Molecular Weight260.40
XLogP2.8
Topological Polar Surface Area15.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity230
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C(C2=CC=CC=C2)C3=CC=CC=C3)([2H])[2H])[2H]
InChI
InChI=1S/C17H20N2/c1-3-7-15(8-4-1)17(16-9-5-2-6-10-16)19-13-11-18-12-14-19/h1-10,17-18H,11-14H2/i11D2,12D2,13D2,14D2
InChIKey
NWVNXDKZIQLBNM-FUEQIQQISA-N
Chemical Structure
2D Structure
2D structure of 1-Benzhydrylpiperazine-d8
CAS: 1330188-81-2
CID: 71313681
Formula: C17H20N2
MW: 260.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.40
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass260.212862614
Monoisotopic Mass260.212862614
Topological Polar Surface Area15.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity230
Isotope Atom Count8
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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B6400-011-Benzhydrylpiperazine
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