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Name |
[1,1'-Biphenyl]-3-methanamine |
EINECS | N/A |
CAS No. | 177976-49-7 | Density | 1.048g/cm3 |
PSA | 26.02000 | LogP | 3.51260 |
Solubility | N/A | Melting Point |
28 °C |
Formula | C13H13N | Boiling Point | 320.2 °C at 760 mmHg |
Molecular Weight | 183.253 | Flash Point | 154.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | T; Xi | |
Synonyms |
(Biphenyl-3-ylmethyl)amine;3-Aminomethylbiphenyl;3-Phenylbenzylamine;C-Biphenyl-3-ylmethylamine;[(1,1'-Biphenyl-3-yl)methyl]amine; |
Article Data | 11 |
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