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2954-50-9

Basic Information
CAS No.: 2954-50-9
Name: 1,2,3,4-TETRAHYDRO-2-NAPHTHYLAMINE
Article Data: 49
Molecular Structure:
Molecular Structure of 2954-50-9 (1,2,3,4-TETRAHYDRO-2-NAPHTHYLAMINE)
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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Specification

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.