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Phenethylamine

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Name

Phenethylamine

EINECS 200-574-4
CAS No. 64-04-0 Density 0.962 g/cm3
PSA 26.02000 LogP 1.88810
Solubility soluble in water Melting Point -60 °C
Formula C8H11N Boiling Point 196.455 °C at 760 mmHg
Molecular Weight 121.182 Flash Point 90.556 °C
Transport Information UN 2922 8/PG 2 Appearance colourless or slightly yellow liquid
Safety 26-36/37/39-45 Risk Codes 22-34
Molecular Structure Molecular Structure of 64-04-0 (Phenethylamine) Hazard Symbols CorrosiveC
Synonyms

Phenethylamine(8CI);(2-Aminoethyl)benzene;(b-Aminoethyl)benzene;1-Amino-2-phenylethane;2-Amino-1-phenylethane;2-Phenethylamine;2-Phenyl-1-ethylamine;2-Phenylethanamine;2-Phenylethaneamine;2-Phenylethylamine;Ethanamine, 2-phenyl-;N-Phenethylamine;NSC 10811;o-PEA;b-Phenethylamine;b-Phenylethylamine;Benzeneethanamine;

Article Data 404

Phenethylamine Consensus Reports

Reported in EPA TSCA Inventory.

Phenethylamine Specification

The Phenethylamine, with the CAS registry number 64-04-0,is also known as 2-Phenylethylamine; 3-Aminoethylbenzene. It belongs to the product categories of Amines;Bioactive Small Molecules;Building Blocks. This chemical's molecular formula is C8H11N and molecular weight is 121.18. Its EINECS number is 200-574-4.What's more,Its systematic name is Phenethylamine.It is a colourless or slightly yellow liquid which is stable,combustible,incompatible with strong oxidizing agents,strong acids.And it is used as an intermediate for phenformin,also for other organic synthesis.

Physical properties about Phenethylamine are:
(1)ACD/LogP:  1.458; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -1.62; (4)ACD/LogD (pH 7.4):  -0.95; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.00; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  1; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  3; (12)Index of Refraction:  1.537; (13)Molar Refractivity:  39.337 cm3; (14)Molar Volume:  125.928 cm3; (15)Surface Tension:  38.1199989318848 dyne/cm; (16)Density:  0.962 g/cm3; (17)Flash Point:  90.556 °C; (18)Enthalpy of Vaporization:  43.265 kJ/mol; (19)Boiling Point:  196.455 °C at 760 mmHg; (20)Vapour Pressure:  0.398000001907349 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:c1ccc(cc1)CCN;
(2)Std. InChI:InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2;
(3)Std. InChIKey:BHHGXPLMPWCGHP-UHFFFAOYSA-N.

Safety Information of Phenethylamine:
The Phenethylamine is harmful if swallowed .It may causes burns .In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .When you use it wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

The toxicity data of Phenethylamine are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: ATAXIA
National Technical Information Service. Vol. OTS0555348,
guinea pig LD50 oral 200mg/kg (200mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
National Technical Information Service. Vol. OTS0555348,
mouse LD50 intracervical 39mg/kg (39mg/kg)   Tohoku Yakka Daigaku Kenkyu Nempo. Annual Report of the Tohoku College of Pharmacy. Vol. 27, Pg. 131, 1980.
mouse LD50 intraperitoneal 175mg/kg (175mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 24, Pg. 24, 1974.
mouse LD50 intravenous 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 341, 1952.
mouse LD50 parenteral 100mg/kg (100mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940.
mouse LD50 subcutaneous 320mg/kg (320mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 620, 1957.
mouse LDLo unreported 300mg/kg (300mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 153, Pg. 161, 1930.
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940.
rat LDLo oral 800mg/kg (800mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 195, Pg. 647, 1940.
rat LDLo subcutaneous 450ug/kg (.45mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 109, 1948.