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| CAS No.: | 101-64-4 | ||||||||||
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| Name: | VARIAMINE BLUE B BASE | ||||||||||
| Molecular Structure: | |||||||||||
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| Formula: | C13H14N2O | ||||||||||
| Molecular Weight: | 214.267 | ||||||||||
| Synonyms: | 1,4-Benzenediamine,N-(4-methoxyphenyl)- (9CI);p-Phenylenediamine, N-(p-methoxyphenyl)-(6CI,7CI,8CI);4-(4-Methoxyphenylamino)aniline;4-Amino-4'-methoxydiphenylamine;4-Methoxy-4'-aminodiphenylamine;4'-Amino-4-methoxydiphenylamine;Diazol Blue O;Fast Blue VB Base;N-(4-Aminophenyl)-N-(4-methoxyphenyl)amine;N-(4-Aminophenyl)-p-anisidine;N-(4-Methoxyphenyl)-1,4-phenylenediamine;N-(p-Methoxyphenyl)-p-phenylenediamine;Naphthoelan Fast Blue BT;VariamineBlue B;Variamine Blue B Base;Variamine Blue base;Variamine Blue free base;p-Amino-p'-methoxydiphenylamine; | ||||||||||
| EINECS: | 202-962-9 | ||||||||||
| Density: | 1.178g/cm3 | ||||||||||
| Melting Point: | 101°C | ||||||||||
| Boiling Point: | 210 °C / 4mmHg | ||||||||||
| Flash Point: | 188.9°C | ||||||||||
| Risk Codes: | 20/21/22-36/37/38 | ||||||||||
| Safety: |
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| PSA: | 47.28000 | ||||||||||
| LogP: | 3.67520 | ||||||||||
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- Total:19 Page 1 of 1 1
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Specification
The 4-Amino-4'-methoxydiphenylamine with cas registry number of 101-64-4, has the systematic name of N-(4-methoxyphenyl)benzene-1,4-diamine. And its IUPAC name is 4-N-(4-methoxyphenyl)benzene-1,4-diamine. Besides this, it is also named 1,4-benzenediamine, N~1~-(4-methoxyphenyl)-.
Physical properties about this chemical are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 5.1; (7)ACD/KOC (pH 5.5): 80.41; (8)ACD/KOC (pH 7.4): 111.58; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 66.54 cm3; (15)Molar Volume: 181.7 cm3; (16)Polarizability: 26.37×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Enthalpy of Vaporization: 63.79 kJ/mol; (19)Vapour Pressure: 3.01E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 4-Amino-4'-methoxydiphenylamine irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. 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: O(c2ccc(Nc1ccc(N)cc1)cc2)C;
(2)InChI: InChI=1/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3;
(3)InChIKey: RBLUJIWKMSZIMK-UHFFFAOYAI;
(4)Std. InChI: InChI=1S/C13H14N2O/c1-16-13-8-6-12(7-9-13)15-11-4-2-10(14)3-5-11/h2-9,15H,14H2,1H3;
(5)Std. InChIKey: RBLUJIWKMSZIMK-UHFFFAOYSA-N