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Amitriptyline EP Impurity D

CAT: 1596-AR-A01972-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A01972-02Size:100 Units
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CAS Number
1159-03-1
Synonyms
5- (3- (dimethylamino) propyl) -10,11-dihydro-5H-dibenzo[a, d][7]annulen-5-ol; Amitriptyline Related Compound B USP, Amitriptyline EP Impurity D; Amitriptyline USP RC B; 5-[3- (dimethylamino) propyl]-10,11-dihydro-5H_x0002_Dibenzo[a, d]cyclohepten-5-ol
Molecular Formula
C20H25NO
Molecular Weight
295.43
API Name
Amitriptyline

Chemical Information

Amitriptynol
CAS Number1159-03-1
PubChem CID14390
IUPAC Name2-[3-(dimethylamino)propyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
Molecular FormulaC20H25NO
Molecular Weight295.4
XLogP3.6
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity330
SMILES
CN(C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)O
InChI
InChI=1S/C20H25NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-11,22H,7,12-15H2,1-2H3
InChIKey
ONSQUXZPOPTSQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amitriptynol
CAS: 1159-03-1
CID: 14390
Formula: C20H25NO
MW: 295.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight295.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass295.193614421
Monoisotopic Mass295.193614421
Topological Polar Surface Area23.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes