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CAS No.: | 2954-50-9 |
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Name: | 1,2,3,4-TETRAHYDRO-2-NAPHTHYLAMINE |
Article Data: | 49 |
Molecular Structure: | |
Formula: | C10H13N |
Molecular Weight: | 147.22 |
Synonyms: | 2-Naphthylamine,1,2,3,4-tetrahydro- (7CI,8CI);(1,2,3,4-Tetrahydronaphthalen-2-yl)amine;(RS)-2-Aminotetralin;1,2,3,4-Tetrahydro-2-naphthylamine;2-Amino-1,2,3,4-tetrahydronaphthalene;2-Aminotetralin;3-Amino-1,2,3,4-tetrahydronaphthalene;JGC 127;b-1,2,3,4-Tetrahydronaphthylamine; |
EINECS: | 220-973-7 |
Density: | 1.024 g/cm3 |
Melting Point: | 149-151 °C |
Boiling Point: | 250.665 °C at 760 mmHg |
Flash Point: | 111.607 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 26.02000 |
LogP: | 2.20290 |
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The 2-Aminotetralin, with the CAS registry number 2954-50-9 and EINECS registry number 220-973-7, has the systematic name of 1,2,3,4-tetrahydronaphthalen-2-amine. Its classification are: Drug/Therapeutic Agent; Human Data; Reproductive Effect; Skin/Eye Irritant. It is a stimulant drug with the chemical structure consisting of a tetralin group combined with an amine. And the molecular formula of this chemical is C10H13N. What's more, it has been shown to inhibit the reuptake of serotonin and norepinephrine, and likely induces their release as well.
The physical properties of 2-Aminotetralin are as followings: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.02 Å2; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 46.592 cm3; (13)Molar Volume: 143.834 cm3; (14)Polarizability: 18.47×10-24cm3; (15)Surface Tension: 40.743 dyne/cm; (16)Density: 1.024 g/cm3; (17)Flash Point: 111.607 °C; (18)Enthalpy of Vaporization: 48.794 kJ/mol; (19)Boiling Point: 250.665 °C at 760 mmHg; (20)Vapour Pressure: 0.021 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)CCC(C2)N
(2)InChI: InChI=1/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
(3)InChIKey: LCGFVWKNXLRFIF-UHFFFAOYAA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LDLo | intravenous | 10mg/kg (10mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE VASCULAR: REGIONAL OR GENERAL ARTERIOLAR CONSTRICTION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 35, Pg. 70, 1928. |
frog | LDLo | subcutaneous | 375mg/kg (375mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Virchows Archiv fuer Pathologische, Anatomie und Physiologie, und fuer Klinische Medizin. Vol. 115, Pg. 14, 1889. |
human | TDLo | parenteral | 10mg/kg (10mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: SLEEP BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Virchows Archiv fuer Pathologische, Anatomie und Physiologie, und fuer Klinische Medizin. Vol. 115, Pg. 14, 1889. |
human | TDLo | subcutaneous | 10mg/kg (10mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: SLEEP BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" | Virchows Archiv fuer Pathologische, Anatomie und Physiologie, und fuer Klinische Medizin. Vol. 115, Pg. 14, 1889. |
mouse | LD50 | subcutaneous | 64mg/kg (64mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 61, Pg. 168, 1965. |
rabbit | LDLo | intravenous | 20mg/kg (20mg/kg) | SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT | Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 61, Pg. 168, 1965. |
rabbit | LDLo | subcutaneous | 50mg/kg (50mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Virchows Archiv fuer Pathologische, Anatomie und Physiologie, und fuer Klinische Medizin. Vol. 115, Pg. 14, 1889. |