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4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen
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Name

4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen

 EINECS N/A
CAS No. 10083-53-1 Density 1.159g/cm3
PSA 40.27000 LogP 4.27880
Solubility N/A Melting Point N/A
Formula C17H19 N S Boiling Point 408.7°Cat760mmHg
Molecular Weight 269.43 Flash Point 201°C
Transport Information N/A Appearance N/A
Safety Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx. Risk Codes N/A
Molecular Structure Molecular Structure of 10083-53-1 (IBD 78) Hazard Symbols N/A
Synonyms

4H-Benzo[4,5]cyclohepta[1,2-b]thiophene,1-propanamine deriv.; IBD 78

 

4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen Chemical Properties

Product Name: 4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen (CAS NO.10083-53-1)


Molecular Formula: C17H19NS
Molecular Weight: 269.4045g/mol
Mol File: 10083-53-1.mol
Boiling point: 408.7 °C at 760 mmHg
Flash Point: 201 °C
Density: 1.159 g/cm3
Surface Tension: 51.3 dyne/cm
Enthalpy of Vaporization: 66.07 kJ/mol
Vapour Pressure:  6.87E-07 mmHg at 25°C
XLogP3-AA: 3.7
H-Bond Donor:1
H-Bond Acceptor: 1
Structure Descriptors of 4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen (CAS NO.10083-53-1):
  Canonical SMILES: CNCCC=C1C2=C(CCC3=CC=CC=C31)SC=C2
  Isomeric SMILES: CNCC/C=C\1/C2=C(CCC3=CC=CC=C31)SC=C2
  InChI: InChI=1S/C17H19NS/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3/b15-7+ 
  InChIKey: RDBMZAMQBNYOIJ-VIZOYTHASA-N

4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 34mg/kg (34mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
mouse LD50 oral 420mg/kg (420mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rabbit LD50 intravenous 14mg/kg (14mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rabbit LD50 oral 2gm/kg (2000mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rat LD50 intravenous 28mg/kg (28mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.
rat LD50 oral 500mg/kg (500mg/kg)   "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 321, 1972.

4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx and SOx.

4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen Specification

 4-(3'-Methylaminopropylidene)-9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thiophen , its CAS NO. is 10083-53-1, the synonyms are BRN 1347799 ; IBD 78 ;  4H-Benzo(4,5)cyclohepta(1,2-b)thiophene, 9,10-dihydro-4-(3-methylaminopropylidene)- .

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