Dibenz[b,e]oxepin-2-acetic acid,11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride, (11Z)-


Chemical Name: Dibenz[b,e]oxepin-2-acetic acid,11-[3-(dimethylamino)propylidene]-6,11-dihydro-, hydrochloride, (11Z)-
CAS Number: 140462-76-6
Product Number: AG001CHK(AGN-PC-0PPNTN)
Synonyms:
MDL No:
Molecular Formula: C21H24ClNO3
Molecular Weight: 373.8732

Identification/Properties


Properties
MP:
242-245?C
BP:
545.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Solubility:
H2O: ≥20mg/mL
Computed Properties
Molecular Weight:
373.877g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
373.144g/mol
Monoisotopic Mass:
373.144g/mol
Topological Polar Surface Area:
49.8A^2
Heavy Atom Count:
26
Formal Charge:
0
Complexity:
488
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:
2
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H400
Precautionary Statements:
P273-P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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