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Name
3-(5-cyano-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-N,N-dimethylpropan-1-aminium chloride
- EINECS
- CAS No. 1769-99-9
- Density g/cm3
- Solubility
- Melting Point
- Formula C21H24N2•ClH
- Boiling Point 432°Cat760mmHg
- Molecular Weight 340.93
- Flash Point 179°C
- Transport Information
- Appearance
- Safety Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx, CN−, and HCl. See also CYANIDE.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride Chemical Properties
Molecule structure of 5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride (CAS NO.1769-99-9):
Molecular Weight: 340.8896 g/mol
Molecular Formula: C21H25ClN2
Boiling Point: 432 °C at 760 mmHg
Flash Point: 179 °C
Enthalpy of Vaporization: 68.78 kJ/mol
Vapour Pressure: 1.14E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 340.170627
MonoIsotopic Mass: 340.170627
Topological Polar Surface Area: 28.2
Heavy Atom Count: 24
Complexity: 408
Canonical SMILES: C[NH+](C)CCCC1(C2=CC=CC=C2CCC3=CC=CC=C31)C#N.[Cl-]
InChI: InChI=1S/C21H24N2.ClH/c1-23(2)15-7-14-21(16-22)19-10-5-3-8-17(19)12-13-18-9-4-6-11-20(18)21;/h3-6,8-11H,7,12-15H2,1-2H3;1H
InChIKey of 5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride (CAS NO.1769-99-9): RWOJIGUPDYXZBN-UHFFFAOYSA-N
5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride Toxicity Data With Reference
| 1. | orl-rat LD50:1250 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,91. | ||
| 2. | ivn-rat LD50:28 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,91. | ||
| 3. | ims-rat LD50:620 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972,91. | ||
| 4. | ipr-mus LD50:120 mg/kg | JMCMAR Journal of Medicinal Chemistry. 6 (1963),251. | ||
| 5. | ivn-mus LD50:56 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01197 . |
5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride Consensus Reports
Cyanide and its compounds are on the Community Right-To-Know List.
5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion and intramuscular routes. When heated to decomposition it emits toxic fumes of NOx, CN−, and HCl. See also CYANIDE.
5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride Specification
5-Cyano-10,11-dihydro-5-(3-dimethyl-aminopropyl)-5H-dibenzo(a,d)cycloheptene hydrochloride (CAS NO.1769-99-9) is also named as 5H-Dibenzo(a,d)cycloheptene-5-propylamine, 10,11-dihydro-5-cyano-N,N-dimethyl-, HCl ; NSC 169097 ; UCB 4208 ; 5H-Dibenzo(a,d)cycloheptene, 10,11-dihydro-5-cyano-5-(3-dimethylaminopropyl)-, hydrochloride ; 5H-Dibenzo(a,d)cycloheptene-5-carbonitrile, 5-(3-(dimethylamino)propyl)-10,11-dihydro-, monohydrochloride (9CI) .
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