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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 | Hazard Symbols | N/A | |
Synonyms |
1-Propanol,3-[(3,3-diphenylpropyl)methylamino]-, hydrochloride (8CI,9CI);PF-82; |
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 |