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Name |
4-cyanobenzylamine |
EINECS | 233-877-5 |
CAS No. | 10406-25-4 | Density | 1.1 g/cm3 |
PSA | 49.81000 | LogP | 1.71728 |
Solubility | N/A | Melting Point |
274-279 °C(lit.) |
Formula | C8H8N2 | Boiling Point | 275.4 °C at 760 mmHg |
Molecular Weight | 132.165 | Flash Point | 120.4 °C |
Transport Information | N/A | Appearance | White solid |
Safety | 22-24/25 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
p-Tolunitrile,a-amino- (6CI,7CI,8CI);4-(Aminomethyl)benzonitrile;4-Cyanobenzylamine;p-Cyanobenzylamine;p-Cyanophenylmethylamine;a-Amino-p-tolunitrile; |
Article Data | 69 |
The 4-cyanobenzylamine is an organic compound with the formula C8H8N2. The systematic name of this chemical is 4-(aminomethyl)benzonitrile. With the CAS registry number 10406-25-4, it is also named as Benzonitrile, 4-(aminomethyl)-. The product's categories are Anilines, Aromatic Amines and Nitro Compounds; Amines. Besides, it is used in organic synthesis, LCP synthesis, and can also be used as pharmaceutical intermediates.
Physical properties about 4-cyanobenzylamine are: (1)ACD/LogP: 0.53; (2)ACD/LogD (pH 5.5): -2.23; (3)ACD/LogD (pH 7.4): -0.62; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.29; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 27.03 Å2; (12)Index of Refraction: 1.573; (13)Molar Refractivity: 39.56 cm3; (14)Molar Volume: 120 cm3; (15)Polarizability: 15.68×10-24cm3; (16)Surface Tension: 51.1 dyne/cm; (17)Density: 1.1 g/cm3; (18)Flash Point: 120.4 °C; (19)Enthalpy of Vaporization: 51.39 kJ/mol; (20)Boiling Point: 275.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0051 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
When you are using it, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(cc1)CN
(2)InChI: InChI=1/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2
(3)InChIKey: LFIWXXXFJFOECP-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H8N2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5,9H2
(5)Std. InChIKey: LFIWXXXFJFOECP-UHFFFAOYSA-N