4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benz odiazepin-2-one

Modify Date: 2025-08-25 18:52:55

4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benz odiazepin-2-one Structure
4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benz odiazepin-2-one structure
Common Name 4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benz odiazepin-2-one
CAS Number 87295-93-0 Molecular Weight 258.31900
Density 1.14g/cm3 Boiling Point N/A
Molecular Formula C14H18N4O Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (3Z)-4-(Dimethylamino)-3-[(dimethylamino)methylene]-1,3-dihydro-2 H-1,5-benzodiazepin-2-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.14g/cm3
Molecular Formula C14H18N4O
Molecular Weight 258.31900
Exact Mass 258.14800
PSA 51.43000
LogP 1.19650
Index of Refraction 1.589
InChIKey VSXKZWMVPXBGBV-KTKRTIGZSA-N
SMILES CN(C)C=C1C(=O)Nc2ccccc2N=C1N(C)C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF2378200
CHEMICAL NAME :
2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-(dimethylamino)-3-((dimethylamino)methy lene)-
CAS REGISTRY NUMBER :
87295-93-0
LAST UPDATED :
199306
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C14-H18-N4-O
MOLECULAR WEIGHT :
258.36

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,546,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 38,546,1983

 Synthetic Route

~38%

4-(Dimethylamino)-3-((dimethylamino)methylene)-1,3-dihydro-2H-1,5-benz odiazepin-2-one Structure

4-(Dimethylamin...

CAS#:87295-93-0

Literature: Roma; Balbi; Ermili; Vigevani Farmaco, Edizione Scientifica, 1983 , vol. 38, # 8 p. 546 - 558

 Synonyms

N,N-Dimethyl-N'-oxidiethylen-thiocarbamoylsulfenamid
Dimethylthiocarbamoylsulfen-saeuremorpholid
Morpholine,4-[[(dimethylamino)thioxomethyl]thio]
N-(N,N-dimethylthiocarbamoyldithioyl)morpholine
(dimethylamino)morpholin-4-ylthiomethane-1-thione
Dithiocarbamic acid,N,N-dimethyl-,S-(4-morpholyl) ester
4-(dimetilammino)-3-<(dimetilammino)metilen>-1,3-diidro-2H-1,5-benzodiazepin-2-one
Dimethylthiocarbamoyl-morpholino-sulfan
4-(dimethyl-thiocarbamoylsulfanyl)-morpholine
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