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CAS No.: | 300-62-9 |
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Name: | D/L-AMPHETAMINE HYDROCHLORIDE |
Article Data: | 117 |
Molecular Structure: | |
Formula: | C9H13N |
Molecular Weight: | 135.209 |
Synonyms: | Benzeneethanamine,a-methyl-, (?à)-;Phenethylamine, a-methyl-, (?à)- (8CI);1-Benzylethylamine;1-Methyl-2-phenylethylamine;1-Phenyl-2-aminopropane;1-Phenyl-2-propanamine;1-Phenyl-2-propylamine;2-Amino-1-phenylpropane;3-Phenyl-2-propylamine;Actedron;Adderall;Adipan;Amfetamine;Amphetamine;Anorexine;Benzedrine;Desoxynorephedrine;Fenopromin;Isoamyne;Mecodrin;NSC 27159;Norephedrane;Obesin;Oktedrin;Percomon;Phenamine;Profamina;Propisamine;Raphetamine;SLI 381;Simpatina;Sympamine;Sympatedrine;dl-a-Methylphenethylamine;a-Methyl-b-phenylethylamine;a-Methylbenzeneethanamine;a-Methylphenylethylamine;b-Phenylisopropylamine; |
EINECS: | 206-096-2 |
Density: | 0.946 g/cm3 |
Melting Point: | 146 °C |
Boiling Point: | 201.5 °C at 760 mmHg |
Flash Point: | 87.4 °C |
Hazard Symbols: | F,T |
Risk Codes: | 11-23/24/25-39/23/24/25 |
Safety: | 16-36/37-45-7 |
PSA: | 26.02000 |
LogP: | 2.27660 |
The Benzedrine is an organic compound with the formula C9H13N. The IUPAC name of this chemical is 1-phenylpropan-2-amine. With the CAS registry number 300-62-9, it is also named as (2S)-1-Phenylpropan-2-amin. The product's classification codes are Adrenergic agents; Adrenergic uptake inhibitors; Autonomic Agents; Central Nervous System Agents; Central nervous system stimulants; Dopamine agents; Dopamine uptake inhibitors; Drug / Therapeutic Agent; Human Data; Mutation data; Neurotransmitter Agents; Neurotransmitter Uptake Inhibitors; Peripheral Nervous System Agents; Reproductive Effect; Sympathomimetics. Besides, it was used to enlarge nasal and bronchial passages and it is closely related to other stimulants produced later, such as dextroamphetamine and methamphetamine.
Physical properties about Benzedrine are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): -1.28; (3)ACD/LogD (pH 7.4): -0.63; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.527; (13)Molar Refractivity: 43.92 cm3; (14)Molar Volume: 142.8 cm3; (15)Polarizability: 17.41×10-24cm3; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 0.946 g/cm3; (18)Flash Point: 87.4 °C; (19)Enthalpy of Vaporization: 43.77 kJ/mol; (20)Boiling Point: 201.5 °C at 760 mmHg; (21)Vapour Pressure: 0.307 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N[C@H](Cc1ccccc1)C
(2)InChI: InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
(3)InChIKey: KWTSXDURSIMDCE-QMMMGPOBBF
(4)Std. InChI: InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3/t8-/m0/s1
(5)Std. InChIKey: KWTSXDURSIMDCE-QMMMGPOBSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | subcutaneous | 20mg/kg (20mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 149, 1948. | |
guinea pig | LDLo | oral | 200mg/kg (200mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938. |
guinea pig | LDLo | parenteral | 20mg/kg (20mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938. |
guinea pig | LDLo | subcutaneous | 20mg/kg (20mg/kg) | BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. Vol. 128, Pg. 680, 1938. |
mammal (species unspecified) | LD50 | intraperitoneal | 65mg/kg (65mg/kg) | Biochimie. Vol. 63, Pg. 495, 1981. | |
mammal (species unspecified) | LD50 | oral | 135mg/kg (135mg/kg) | Biochimie. Vol. 63, Pg. 495, 1981. | |
man | LDLo | unreported | 2206ug/kg (2.206mg/kg) | "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. | |
monkey | LDLo | subcutaneous | 20mg/kg (20mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 149, 1948. | |
mouse | LD50 | intraperitoneal | 5500ug/kg (5.5mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 161, Pg. 206, 1966. | |
mouse | LD50 | intravenous | 15mg/kg (15mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 146, Pg. 392, 1963. | |
mouse | LD50 | oral | 21mg/kg (21mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 810, 1973. | |
mouse | LD50 | subcutaneous | 15mg/kg (15mg/kg) | Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 4, Pg. 139, 1945. | |
mouse | LD50 | unreported | 8800ug/kg (8.8mg/kg) | Acta Physiologica Academiae Scientiarum Hungaricae. Vol. 32, Pg. 377, 1967. | |
rabbit | LDLo | intravenous | 25mg/kg (25mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 149, 1948. | |
rabbit | LDLo | subcutaneous | 20mg/kg (20mg/kg) | "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 149, 1948. | |
rat | LD50 | oral | 30mg/kg (30mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 23, Pg. 810, 1973. | |
rat | LD50 | subcutaneous | 180mg/kg (180mg/kg) | BEHAVIORAL: EXCITEMENT | Journal of Pharmacology and Experimental Therapeutics. Vol. 85, Pg. 119, 1945. |
rat | LDLo | intraperitoneal | 23mg/kg (23mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940. | |
rat | LDLo | intravenous | 20mg/kg (20mg/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. |