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| Name |
Nioben |
EINECS | N/A |
| CAS No. | 18787-40-1 | Density | N/A |
| PSA | 20.31000 | LogP | 6.38820 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C22H35NO•ClH | Boiling Point | 458.6°C at 760 mmHg |
| Molecular Weight | 366.04 | Flash Point | 159.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl and NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Nioben;Pipoctanone hydrochloride;N-1113;4'-Octyl-3-piperidinopropiophenone hydrochloride;Propiophenone,4'-octyl-3-piperidino-,hydrochloride; |
Nioben Chemical Properties
Product Name: Nioben (CAS NO.18787-40-1)
Molecular Formula: C22H35NO•ClH
Molecular Weight: 366.04g/mol
Mol File: 18787-40-1.mol
Boiling point: 458.6 °C at 760 mmHg
Flash Point: 159.2 °C
Enthalpy of Vaporization: 71.89 kJ/mol
Vapour Pressure: 1.36E-08 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Nioben (CAS NO.18787-40-1):
IUPAC Name: 1-(4-octylphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride
Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl
InChI: InChI=1S/C22H35NO.ClH/c1-2-3-4-5-6-8-11-20-12-14-21(15-13-20)22(24)16-19-23-17-9-7-10-18-23;/h12-15H,2-11,16-19H2,1H3;1H
InChIKey: LFFGFUOUGYTIMI-UHFFFAOYSA-N
Nioben Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 98mg/kg (98mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. | |
| mouse | LD50 | intravenous | 21mg/kg (21mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. | |
| mouse | LD50 | oral | 410mg/kg (410mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. | |
| rabbit | LD50 | intraperitoneal | 165mg/kg (165mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. | |
| rabbit | LD50 | intravenous | 11mg/kg (11mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. | |
| rat | LD50 | intraperitoneal | 79mg/kg (79mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. | |
| rat | LD50 | intravenous | 18mg/kg (18mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. | |
| rat | LD50 | oral | 417mg/kg (417mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 19, Pg. 1011, 1969. |
Nioben Safety Profile
Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl and NOx.
Nioben Specification
Nioben ,its CAS NO. is 18787-40-1,the synonyms is 1-Piperidino-3-(4'-octylphenyl)-propan-3-on-hydrochlorid ; 1-Piperidino-3-(p-octylphenyl)-3-propanone hydrochloride ; 4'-Octyl-3-piperidinopropiophenone hydrochloride ; N-1113 ; Pipoctanone hydrochloride ; Propiophenone, 4'-octyl-3-piperidino-, hydrochloride .
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