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Name |
4-(2-Aminopropyl)phenol |
EINECS | 203-152-8 |
CAS No. | 103-86-6 | Density | 1.07 g/cm3 |
PSA | 46.25000 | LogP | 1.98220 |
Solubility | N/A | Melting Point |
125-126 °C |
Formula | C9H13NO | Boiling Point | 279.2 °C at 760 mmHg |
Molecular Weight | 151.208 | Flash Point | 122.7 °C |
Transport Information | N/A | Appearance | white like or light brown crystalline powder |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Phenol,p-(2-aminopropyl)- (6CI,8CI);4-(2-Aminopropyl)phenol;4-Hydroxy-a-methylphenethylamine;4-Hydroxyamphetamine;DL-4-Hydroxyamphetamine;Hydroxyamfetamine;Hydroxyamphetamine;NSC 170995;Norveritol;Oxamphetamine;Paredrine;Paredrinex;Pulsoton;Racemic p-hydroxyamphetamine;dl-p-Hydroxyamphetamine;p-(2-Aminopropyl)phenol;p-Hydroxy-a-methylphenethylamine;p-Hydroxyamphetamine;p-Hydroxyphenylisopropylamine;a-Methyltyramine; |
Article Data | 22 |
The Phenol,4-(2-aminopropyl)-, with the CAS registry number 10199-50-5, is also known as D-4-Hydroxyamphetamine. Its EINECS number is 203-152-8. This chemical's molecular formula is C9H13NO and molecular weight is 151.21. What's more, its systematic name is 4-(2-aminopropyl)phenol.
Physical properties of Phenol,4-(2-aminopropyl)- are: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -1.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 45.81 cm3; (15)Molar Volume: 141.2 cm3; (16)Polarizability: 18.16×10-24 cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 122.7 °C; (20)Enthalpy of Vaporization: 53.87 kJ/mol; (21)Boiling Point: 279.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0024 mmHg at 25°C.
Preparation: this chemical can be prepared by p-Hydroxy-norephedrin-HCl at the ambient temperature and at the pressure of 3900.3. This reaction will need reagent H2 and solvents H2O, acetic acid, HClO4 with the reaction time of 14.5 hours. This reaction will also need catalyst 9.8percent Pd/C. The yield is about 68%.
Uses of Phenol,4-(2-aminopropyl)-: it can be used to produce N-Acetyl-p-hydroxyamphetamin at the ambient temperature. It will need solvent ethyl acetate with the reaction time of 30 min. The yield is about 91%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc1ccc(cc1)CC(N)C
(2)InChI: InChI=1/C9H13NO/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,7,11H,6,10H2,1H3
(3)InChIKey: GIKNHHRFLCDOEU-UHFFFAOYAW
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | intravenous | 100mg/kg (100mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 101, 1948. |