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Name
5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride
- EINECS
- CAS No. 63978-98-3
- Density
- Solubility
- Melting Point
- Formula C19H23Cl2NO
- Boiling Point
- Molecular Weight 352.3
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1-Naphthylamine, 1,2,3,4-tetrahydro-5-benzyloxy-8-chloro-N,N-dimethyl-, hydrochloride;5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride;63978-98-3;LS-95756;1-Naphthalenamine, 8-chloro-1,2,3,4-tetrahydro-N,N-dimethyl-5-(phenylmethoxy)-, hydrochloride
- PSA
- LogP
5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride Chemical Properties
Molecule structure of 5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride (CAS NO.63978-98-3):
IUPAC Name: (8-Chloro-5-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-dimethylazanium chloride
Molecular Weight: 352.29802 g/mol
Molecular Formula: C19H23Cl2NO
Boiling Point: 434.6 °C at 760 mmHg
Flash Point: 216.7 °C
Enthalpy of Vaporization: 69.08 kJ/mol
Vapour Pressure: 9.34E-08 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 4
Exact Mass: 351.11567
MonoIsotopic Mass: 351.11567
Topological Polar Surface Area: 13.7
Heavy Atom Count: 23
Complexity: 342
Canonical SMILES: C[NH+](C)C1CCCC2=C(C=CC(=C12)Cl)OCC3=CC=CC=C3.[Cl-]
InChI: InChI=1S/C19H22ClNO.ClH/c1-21(2)17-10-6-9-15-18(12-11-16(20)19(15)17)22-13-14-7-4-3-5-8-14;/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3;1H
InChIKey of 5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride (CAS NO.63978-98-3): VCCXEPGLINBAJG-UHFFFAOYSA-N
5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride Toxicity Data With Reference
| 1. | ipr-mus LDLo:316 mg/kg | JMCMAR Journal of Medicinal Chemistry. 16 (1973),1003. |
5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride Safety Profile
A poison by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride Specification
5-Benzyloxy-8-chloro-N,N-dimethyl-1,2,3,4-tetrahydro-1-naphthylamine hydrochloride (CAS NO.63978-98-3) is also named as 1-Naphthylamine, 1,2,3,4-tetrahydro-5-benzyloxy-8-chloro-N,N-dimethyl-, hydrochloride .
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