-
Name
BENZOIC ACID, 2-[[(2'-CYANO[1,1'-BIPHENYL]-4-YL)METHYL]AMINO]-3-NITRO-METHYL ESTER
- EINECS
- CAS No. 139481-28-0
- Article Data4
- CAS DataBase
- Density 1.339 g/cm3
- Solubility
- Melting Point
- Formula C22H17N3O4
- Boiling Point 595.483 °C at 760 mmHg
- Molecular Weight 387.395
- Flash Point 313.937 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Methyl2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]-3-nitrobenzoate;
- PSA 107.94000
- LogP 5.12838
Methyl 2-{[(2'-cyanobiphenyl-4-yl)methyl]amino}-3-nitrobenzoate Specification
This chemical is called Methyl 2-{[(2'-cyanobiphenyl-4-yl)methyl]amino}-3-nitrobenzoate, and its CAS registry number is 139481-28-0. With the molecular formula of C22H17N3O4, its molecular weight is 387.39.
Other characteristics of the Methyl 2-{[(2'-cyanobiphenyl-4-yl)methyl]amino}-3-nitrobenzoate can be summarised as followings: (1)ACD/LogP: 5.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 11962; (6)ACD/BCF (pH 7.4): 11962; (7)ACD/KOC (pH 5.5): 28871; (8)ACD/KOC (pH 7.4): 28871; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 107.94 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 106.161 cm3; (15)Molar Volume: 289.37 cm3; (16)Polarizability: 42.085×10-24cm3; (17)Surface Tension: 66.515 dyne/cm; (18)Density: 1.339 g/cm3; (19)Flash Point: 313.937 °C; (20)Enthalpy of Vaporization: 88.738 kJ/mol; (21)Boiling Point: 595.483 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1ccccc1c3ccc(CNc2c(cccc2N(=O)=O)C(=O)OC)cc3
2.InChI: InChI=1/C22H17N3O4/c1-29-22(26)19-7-4-8-20(25(27)28)21(19)24-14-15-9-11-16(12-10-15)18-6-3-2-5-17(18)13-23/h2-12,24H,14H2,1H3 3.InChIKey: ZIRAEAZVSCADHC-UHFFFAOYAL
Related Products
- Methyl (2-amino-5-methyl-1,3-thiazol-4-yl)acetate
- Methyl (2-chloromethyl)oxazole-4-carboxylate
- Methyl (2E)-3-(4-methylphenyl)propenoate
- Methyl (2E)-3-cyclohexylprop-2-enoate
- Methyl (2R)-2-[(tert-butoxycarbonyl)amino]-3-iodopropanoate
- Methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate
- Methyl (2R)-2-amino-2-cyclohexylethanoate hydrochloride
- Methyl (2R)-2-bromo-2-(2-chlorophenyl)acetate
- Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate
- Methyl (2R,3S)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate
- 139481-41-7
- 139481-44-0
- 139481-58-6
- 139481-59-7
- 139481-72-4
- 139484-40-5
- 139488-44-1
- 13949-67-2
- 139502-80-0
- 139512-70-2
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View