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[1,1'-Biphenyl]-4-ethanamine,hydrochloride

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Name

[1,1'-Biphenyl]-4-ethanamine,hydrochloride

EINECS N/A
CAS No. 17027-69-9 Density 1.031 g/cm3
PSA 26.02000 LogP 4.35710
Solubility N/A Melting Point 50-54 °C(lit.)
Formula C14H15N Boiling Point 338.1 °C at 760 mmHg
Molecular Weight 197.28 Flash Point 163 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 17027-69-9 (2-(4-BIPHENYL)ETHYLAMINE) Hazard Symbols IrritantXi
Synonyms

4-Biphenylethylamine,hydrochloride (8CI);Phenethylamine, p-phenyl-, hydrochloride (6CI);[1,1'-Biphenyl]-4-ethanamine, hydrochloride (9CI);4-Phenylphenethylaminehydrochloride;

Article Data 3

[1,1'-Biphenyl]-4-ethanamine,hydrochloride Specification

The [1,1'-Biphenyl]-4-ethanamine,hydrochloride is an organic compound with the formula C14H15N. The systematic name of this chemical is 2-(Biphenyl-4-yl)ethanamine. With the CAS registry number 17027-69-9, it is also named as 2-(4-Biphenylyl)ethanamine. Besides, its molecular weight is 197.28.

Physical properties about [1,1'-Biphenyl]-4-ethanamine,hydrochloride are: (1)ACD/LogP: 3.22; (2)ACD/LogD (pH 5.5): 0.14; (3)ACD/LogD (pH 7.4): 0.88; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.13; (7)ACD/KOC (pH 7.4): 6.2; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 3.24 Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 63.92 cm3; (14)Molar Volume: 191.2 cm3; (15)Polarizability: 25.34×10-24 cm3; (16)Surface Tension: 41.8 dyne/cm; (17)Density: 1.031 g/cm3; (18)Flash Point: 163 °C; (19)Enthalpy of Vaporization: 58.14 kJ/mol; (20)Boiling Point: 338.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000101 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H15N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,15H2
(2)InChIKey: WHPLBPSDTIZFSX-UHFFFAOYAT
(3)Std. InChI: InChI=1S/C14H15N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11,15H2
(4)Std. InChIKey: WHPLBPSDTIZFSX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 56mg/kg (56mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: MUSCLE WEAKNESS

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Pharmaceutical Sciences. Vol. 57, Pg. 564, 1968.
Link to PubMed

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