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18787-40-1

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Basic Information
CAS No.: 18787-40-1
Name: 1-(4-octylphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride (1:1)
Molecular Structure:
Molecular Structure of 18787-40-1 (1-(4-octylphenyl)-3-(piperidin-1-yl)propan-1-one hydrochloride (1:1))
Formula: C22H35NO•ClH
Molecular Weight: 366.04
Synonyms: Nioben;Pipoctanone hydrochloride;N-1113;4'-Octyl-3-piperidinopropiophenone hydrochloride;Propiophenone,4'-octyl-3-piperidino-,hydrochloride;
Boiling Point: 458.6°C at 760 mmHg
Flash Point: 159.2°C
Safety: Poison by intravenous and intraperitoneal routes. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of HCl and NOx.
PSA: 20.31000
LogP: 6.38820
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  • PIPOCTANONE HYDROCHLORIDE

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    18787-40-1

    PIPOCTANONE HYDROCHLORIDE

    Min.Order: 10 Gram

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

    Hangyu Biotech is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and O

  •  Zibo Hangyu Biotechnology Development Co., Ltd

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-15965530500

    Address:Room1701, Tianxing Building,Licheng district, jinan, Shandong, China

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  • PIPOCTANONE HYDROCHLORIDE

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    18787-40-1

    PIPOCTANONE HYDROCHLORIDE

    Min.Order: 0

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    factory?direct?sale Application:healing drugs

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

  •  Antimex Chemical Limied

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Chemistry

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

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.

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.

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 .