(E) -2-Hydroxydoxepin

CAT: 1596-AR-D07673-05Size: 150Dry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-D07673-05Size:150

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

131523-90-5

Molecular Formula

C19H21NO2

Molecular Weight

295.38

API Name

Doxepin

Chemical Information

(E)-2-Hydroxy Doxepin

CAS Number	131523-90-5
PubChem CID	59023617
IUPAC Name	(11E)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol
Molecular Formula	C19H21NO2
Molecular Weight	295.4
XLogP	3.9
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	393

SMILES

CN(C)CC/C=C/1\C2=CC=CC=C2COC3=C1C=C(C=C3)O

InChI

InChI=1S/C19H21NO2/c1-20(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(21)12-18(17)19/h3-4,6-10,12,21H,5,11,13H2,1-2H3/b17-8+

InChIKey

GRQPGTWGEQWMMM-CAOOACKPSA-N

Chemical Structure

2D Structure

CAS: 131523-90-5

CID: 59023617

Formula: C19H21NO2

MW: 295.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	295.4
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	295.157228913
Monoisotopic Mass	295.157228913
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	393
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-N01695-01	(E, E, E) -2,4,6-Nonatrienal
AR-F09733-01	(E, E) -2,4-Nonadienal
AR-F09731-01	(E) -2-Nonenal
AR-F09729-01	(E) -2-Octenal
AR-D01318-01	(E, E, Z) -2,4,7-Decatrienal
AR-C09075-01	2-Chloroclomiphene E isomer
AR-S10881-01	Diethyl (E) -2-Benzylidenesuccinate
AR-L02073-01	(E) -2'-Deschloro Luliconazole
AR-F09781-01	(E) -2-Decenedioic Acid
AR-A03119-01	(E) -2-Nonenedioic Acid

Catalog	Name
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
290343-01	2,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
D3554-34-01	2’,2’-Difluoro-2’-deoxyuridine (2’-Deoxy-2’,2’-difluorouridine)
MBS6114780-01	2',2'-Difluoro-2'-deoxyuridine (2'-Deoxy-2',2'-difluorouridine)