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3-(N-3,3-Diphenylpropyl-N-methyl)aminopropan-1-ol hydrochloride

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Name

3-(N-3,3-Diphenylpropyl-N-methyl)aminopropan-1-ol hydrochloride

EINECS N/A
CAS No. 23903-11-9 Density N/A
PSA 23.47000 LogP 4.32480
Solubility N/A Melting Point N/A
Formula C19H26ClNO Boiling Point 429.8 °C at 760 mmHg
Molecular Weight 319.87 Flash Point 165.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23903-11-9 (PF-82) Hazard Symbols N/A
Synonyms

1-Propanol,3-[(3,3-diphenylpropyl)methylamino]-, hydrochloride (8CI,9CI);PF-82;

 

3-(N-3,3-Diphenylpropyl-N-methyl)aminopropan-1-ol hydrochloride Specification

This chemical is called 3-(N-3,3-Diphenylpropyl-N-methyl)aminopropan-1-ol hydrochloride, and it can also be named as 1-Propanol, 3-((3,3-diphenylpropyl)methylamino)-, hydrochloride. With the molecular formula of C19H26ClNO, its molecular weight is 319.87. The CAS registry number of this chemical is 23903-11-9, and its classification code is Drug / Therapeutic Agent. 

Other characteristics of the 3-(N-3,3-Diphenylpropyl-N-methyl)aminopropan-1-ol hydrochloride can be summarised as followings: (1)ACD/LogP: 3.73; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 12.47 Å2; (7)Flash Point: 165.2 °C; (8)Enthalpy of Vaporization: 72.22 kJ/mol; (9)Boiling Point: 429.8 °C at 760 mmHg; (10)Vapour Pressure: 3.76E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES:Cl.OCCCN(CCC(c1ccccc1)c2ccccc2)C
2.InChI: InChI=1/C19H25NO.ClH/c1-20(14-8-16-21)15-13-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,19,21H,8,13-16H2,1H3;1H
3.InChIKey: RTPBAPJXECTSAP-UHFFFAOYAO

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 166, 1974.
Link to PubMed
mouse LD50 intravenous 51mg/kg (51mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 166, 1974.
Link to PubMed
mouse LD50 oral 428mg/kg (428mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 166, 1974.
Link to PubMed
mouse LD50 subcutaneous 364mg/kg (364mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 166, 1974.
Link to PubMed
rat LD50 intraperitoneal 160mg/kg (160mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 166, 1974.
Link to PubMed
rat LD50 oral 1400mg/kg (1400mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 166, 1974.
Link to PubMed

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