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Name |
Benzenecarboximidamide,N,N-diphenyl- |
EINECS | 219-872-0 |
CAS No. | 33345-17-4 | Density | 1.03 g/cm3 |
PSA | 24.39000 | LogP | 4.95000 |
Solubility | N/A | Melting Point |
125-129 °C |
Formula | C19H16N2 | Boiling Point | 441.6 °C at 760 mmHg |
Molecular Weight | 272.349 | Flash Point | 220.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | 22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
NSC 624721;N,N-Diphenylbenzamidine;Benzamidine,N,N-diphenyl- (8CI);N,N'-Diphenylbenzamidine, 98+%;N1,N1-Diphenylbenzenecarbimide amide; |
Article Data | 10 |
The CAS register number of Benzenecarboximidamide,N,N-diphenyl- is 33345-17-4. It also can be called as N1,N1-Diphenylbenzenecarbimide amide and the IUPAC name about this chemical is N,N'-diphenylbenzenecarboximidamide. The molecular formula about this chemical is C19H16N2 and the molecular weight is 272.34. It belongs to the following product category which includes Miscellaneous.
Physical properties about Benzenecarboximidamide,N,N-diphenyl- are: (1)ACD/LogP: 5.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 4.82; (5)ACD/BCF (pH 5.5): 101.76; (6)ACD/BCF (pH 7.4): 2303.58; (7)ACD/KOC (pH 5.5): 323.04; (8)ACD/KOC (pH 7.4): 7312.69; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 15.6 Å2; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 88.57 cm3; (15)Molar Volume: 262.3 cm3; (16)Polarizability: 35.11x10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.03 g/cm3; (19)Flash Point: 220.9 °C; (20)Enthalpy of Vaporization: 69.9 kJ/mol; (21)Boiling Point: 441.6 °C at 760 mmHg; (22)Vapour Pressure: 5.35E-08 mmHg at 25 °C.
Preparation: this chemical can be prepared by N-phenyl-benzimidoyl chloride and aniline. This reaction will need solvent of diethyl ether.
Uses of Benzenecarboximidamide,N,N-diphenyl-: it can be used to produce 3-allyl-2-phenyl-1H-quinolin-4-one with allylmalonic acid diethyl ester. This reaction is a kind of cyclization. This reaction will need solvent of 1,2,3,4-tetrahydro-naphthalene. This reaction needs heating and the reaction time is 4 hours. The yield is about 61%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it may cause damage to health. If you want to use 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(=C(/Nc1ccccc1)c2ccccc2)\c3ccccc3
(2)InChI: InChI=1/C19H16N2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,(H,20,21)
(3)InChIKey: PMYWPCUIMGLRHO-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C19H16N2/c1-4-10-16(11-5-1)19(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18/h1-15H,(H,20,21)
(5)Std. InChIKey: PMYWPCUIMGLRHO-UHFFFAOYSA-N