Products Categories
CAS No.: | 177976-49-7 |
---|---|
Name: | 3-PHENYLBENZYLAMINE |
Article Data: | 11 |
Molecular Structure: | |
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 |
What can I do for you?
Get Best Price
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