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1-(1H-Indol-3-yl)propan-2-amine

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Name

1-(1H-Indol-3-yl)propan-2-amine

EINECS 206-073-7
CAS No. 299-26-3 Density 1.122 g/cm3
Solubility Melting Point 97-101 °C
Formula C11H14N2 Boiling Point 344.5 °C at 760 mmHg
Molecular Weight 174.27 Flash Point 189 °C
Transport Information UN 2811 Appearance white to slightly yellow crystals or cryst. powder
Safety 24/25-45-36/37/39-26-22 Risk Codes 26/27/28
Molecular Structure Molecular Structure of 299-26-3 (1-(1H-Indol-3-yl)propan-2-amine) Hazard Symbols VeryT+
Synonyms

Indole,3-(2-aminopropyl)- (6CI,8CI);164 E;2-(1H-Indol-3-yl)-1-methylethylamine;3-(2-Aminopropyl)-1H-indole;3-(2-Aminopropyl)indole;NSC 97069;Ro 3-0926;U 14;a-Methyl-3-indoleethanamine;a-Methyltryptamine;

 

1-(1H-Indol-3-yl)propan-2-amine Specification

The Indopan, with the CAS registry number 299-26-3, is also known as 1H-Indole-3-ethanamine, alpha-methyl- (9CI). It belongs to the product category of Tryptamines. Its EINECS registry number is 206-073-7. This chemical's molecular formula is C11H14N2 and molecular weight is 174.24. Its IUPAC name is called 1-(1H-indol-3-yl)propan-2-amine. What's more, this chemical's classification codes are Human Data; Reproductive Effect. The product should be sealed and stored in cool and dry place.

Physical properties of Indopan: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): -1.37; (3)ACD/LogD (pH 7.4): -1.12; (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: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.643; (12)Molar Refractivity: 56.2 cm3; (13)Molar Volume: 155.2 cm3; (14)Surface Tension: 50.3 dyne/cm; (15)Density: 1.122 g/cm3; (16)Flash Point: 189 °C; (17)Enthalpy of Vaporization: 58.85 kJ/mol; (18)Boiling Point: 344.5 °C at 760 mmHg; (19)Vapour Pressure: 6.55E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is very toxic by inhalation, in contact with skin and if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC1=CNC2=CC=CC=C21)N
(2)InChI: InChI=1S/C11H14N2/c1-8(12)6-9-7-13-11-5-3-2-4-10(9)11/h2-5,7-8,13H,6,12H2,1H3
(3)InChIKey: QSQQQURBVYWZKJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 200mg/kg (200mg/kg)   Tokyo Igaku Zasshi. Tokyo Journal of Medical Sciences. Vol. 43, Pg. 1140, 1929.
human TDLo oral 384ug/kg (0.384mg/kg) BEHAVIORAL: EUPHORIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: NAUSEA OR VOMITING
Journal of Nervous and Mental Disease. Vol. 131, Pg. 428, 1960.
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Psychopharmacologia Vol. 16, Pg. 385, 1970.
mouse LDLo intravenous 120mg/kg (120mg/kg)   Japanese Journal of Medical Sciences, Part 4: Pharmacology. Vol. 3, Pg. 235, 1929.
mouse LDLo subcutaneous 500mg/kg (500mg/kg)   Japanese Journal of Medical Sciences, Part 4: Pharmacology. Vol. 3, Pg. 235, 1929.
rabbit LDLo intravenous 90mg/kg (90mg/kg)   Japanese Journal of Medical Sciences, Part 4: Pharmacology. Vol. 3, Pg. 235, 1929.
rabbit LDLo subcutaneous 500mg/kg (500mg/kg)   Japanese Journal of Medical Sciences, Part 4: Pharmacology. Vol. 3, Pg. 235, 1929.
rat LD50 intravenous 75mg/kg (75mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 224, 1966.
rat LD50 subcutaneous 50mg/kg (50mg/kg)   Farmakologiya i Toksikologiya Vol. 29, Pg. 224, 1966.

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