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2-Hydroxy Imipramine-d6

CAT: 0572-TRC-H943402-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H943402-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189880-70-3
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])N(CCCN1c2ccccc2CCc3cc(O)ccc13)C([2H])([2H])[2H]
Molecular Formula
C19H18D6N2O
Molecular Weight
302.44
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Hydroxy Imipramine-d6
CAS Number1189880-70-3
PubChem CID46781814
IUPAC Name11-[3-[bis(trideuteriomethyl)amino]propyl]-5,6-dihydrobenzo[b][1]benzazepin-3-ol
Molecular FormulaC19H24N2O
Molecular Weight302.4
XLogP4.4
Topological Polar Surface Area26.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity346
SMILES
[2H]C([2H])([2H])N(CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O)C([2H])([2H])[2H]
InChI
InChI=1S/C19H24N2O/c1-20(2)12-5-13-21-18-7-4-3-6-15(18)8-9-16-14-17(22)10-11-19(16)21/h3-4,6-7,10-11,14,22H,5,8-9,12-13H2,1-2H3/i1D3,2D3
InChIKey
ROTCPJFWLNDKHU-WFGJKAKNSA-N
Chemical Structure
2D Structure
2D structure of 2-Hydroxy Imipramine-d6
CAS: 1189880-70-3
CID: 46781814
Formula: C19H24N2O
MW: 302.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass302.226523869
Monoisotopic Mass302.226523869
Topological Polar Surface Area26.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity346
Isotope Atom Count6
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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