CAS No.177976-49-7,3-PHENYLBENZYLAMINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	177976-49-7
Name:	3-PHENYLBENZYLAMINE
Article Data:	11

Formula:	C₁₃H₁₃N
Molecular Weight:	183.253
Synonyms:	(Biphenyl-3-ylmethyl)amine;3-Aminomethylbiphenyl;3-Phenylbenzylamine;C-Biphenyl-3-ylmethylamine;[(1,1'-Biphenyl-3-yl)methyl]amine;
Density:	1.048g/cm³
Melting Point:	28 °C
Boiling Point:	320.2 °C at 760 mmHg
Flash Point:	154.7 °C
Hazard Symbols:	T； Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	26.02000
LogP:	3.51260

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Specification

The [1,1'-Biphenyl]-3-methanamine, with CAS registry number 177976-49-7, has the systematic name of 1-biphenyl-3-ylmethanamine. And its IUPAC name is (3-phenylphenyl)methanamine. Besides this, it is also called 3-(Aminomethyl)biphenyl. And the chemical formula of this chemical is C₁₃H₁₃N.

Physical properties of [1,1'-Biphenyl]-3-methanamine: (1)ACD/LogP: 2.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.04; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 10.2; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 59.29 cm³; (15)Molar Volume: 174.7 cm³; (16)Polarizability: 23.5×10^-24cm³; (17)Surface Tension: 42.6 dyne/cm; (18)Density: 1.048 g/cm³; (19)Flash Point: 154.7 °C; (20)Enthalpy of Vaporization: 56.19 kJ/mol; (21)Boiling Point: 320.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000322 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The [1,1'-Biphenyl]-3-methanamine irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c2(c1cccc(c1)CN)ccccc2
(2)InChI: InChI=1/C13H13N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10,14H2
(3)InChIKey: WKHABRRJMGVELW-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C13H13N/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10,14H2
(5)Std. InChIKey: WKHABRRJMGVELW-UHFFFAOYSA-N