Basic Information | Post buying leads | Suppliers |
Name |
5-Dimethylamino-6-propyl-5H-indeno(5,6-d)-1,3-dioxole hydrochloride |
EINECS | N/A |
CAS No. | 51003-81-7 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H19NO2•ClH | Boiling Point | 353.2°C at 760 mmHg |
Molecular Weight | 281.81 | Flash Point | 125.9°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
Molecule structure of 5-Dimethylamino-6-propyl-5H-indeno(5,6-d)-1,3-dioxole hydrochloride (CAS NO.51003-81-7):
IUPAC Name: N,N-Dimethyl-6-propyl-5H-cyclopenta[f][1,3]benzodioxol-5-amine hydrochloride
Molecular Weight: 281.7778 g/mol
Molecular Formula: C15H20ClNO2
Boiling Point: 353.2 °C at 760 mmHg
Flash Point: 125.9 °C
Enthalpy of Vaporization: 59.82 kJ/mol
Vapour Pressure: 3.63E-05 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 3
Exact Mass: 281.118257
MonoIsotopic Mass: 281.118257
Topological Polar Surface Area: 21.7
Heavy Atom Count: 19
Complexity: 339
Canonical SMILES: CCCC1=CC2=CC3=C(C=C2C1N(C)C)OCO3.Cl
InChI: InChI=1S/C15H19NO2.ClH/c1-4-5-10-6-11-7-13-14(18-9-17-13)8-12(11)15(10)16(2)3;/h6-8,15H,4-5,9H2,1-3H3;1H
InChIKey: LXLHSTTVQMSUOC-UHFFFAOYSA-N
Classification Code of 5-Dimethylamino-6-propyl-5H-indeno(5,6-d)-1,3-dioxole hydrochloride (CAS NO.51003-81-7): Drug / Therapeutic Agent
1. | ipr-rat LD50:175 mg/kg | RCOCB8 Research Communications in Chemical Pathology and Pharmacology. 26 (1979),85. | ||
2. | ipr-mus LD50:185 mg/kg | RCOCB8 Research Communications in Chemical Pathology and Pharmacology. 26 (1979),85. | ||
3. | ivn-mus LD50:40 mg/kg | RCOCB8 Research Communications in Chemical Pathology and Pharmacology. 26 (1979),85. |
Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
5-Dimethylamino-6-propyl-5H-indeno(5,6-d)-1,3-dioxole hydrochloride (CAS NO.51003-81-7) is also named as 2-Propyl-3-dimethylamino-5,6-methylenedioxyindene hydrochloride ; 2-Propyl-5,6-methylenedioxyindene-1-imethylammonium
hydrochloride ; 2-n-Propyl-3-dimethylamino-5,6-methylenedioxyindene hydrochloride ; 5H-Indeno(5,6-d)-1,3-dioxol-5-amine, N,N-dimethyl-6-propyl-, hydrochloride ; N,N-Dimethyl-6-propyl-5H-indeno(5,6-d)-1,3-dioxol-5-amine hydrochloride ; NSC 236087 ; pr-MDI .