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CAS No.: | 146651-75-4 |
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Name: | (2-AMINO-PHENYL)-CARBAMIC ACID TERT-BUTYL ESTER |
Article Data: | 95 |
Molecular Structure: | |
Formula: | C11H16N2O2 |
Molecular Weight: | 208.26 |
Synonyms: | Carbamicacid, (2-aminophenyl)-, 1,1-dimethylethyl ester (9CI);(2-Aminophenyl)carbamicacid tert-butyl ester;(2-Aminophenyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl (2-aminophenyl)carbamate;2-(((tert-Butyloxy)carbonyl)amino)aniline;2-(N-tert-Butoxycarbonyl)aminoaniline;2-(tert-Butoxycarbonylamino)aniline;Mono-N-Boc-o-phenylenediamine;N-(tert-Butoxycarbonyl)-1,2-phenylenediamine;N-Boc-1,2-phenylenediamine;N-tert-Butoxycarbonyl-o-phenylenediamine;tert-Butyl (2-aminophenyl)carbamate; |
Density: | 1.152 g/cm3 |
Melting Point: | 109-114 °C |
Boiling Point: | 280.6 °C at 760 mmHg |
Flash Point: | 123.5 °C |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 22-43 |
Safety: | 36/37 |
PSA: | 64.35000 |
LogP: | 3.27000 |
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This chemical is called tert-Butyl (2-aminophenyl)carbamate, and its CAS registry number is 146651-75-4. With the molecular formula of C11H16N2O2, its molecular weight is 208.26. Additionally, its product categories are N-BOC; Aromatic Building Blocks.
Other characteristics of the tert-Butyl (2-aminophenyl)carbamate can be summarised as followings: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.99; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 18.8; (6)ACD/BCF (pH 7.4): 20.99; (7)ACD/KOC (pH 5.5): 275.38; (8)ACD/KOC (pH 7.4): 307.38; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 60.37 cm3; (15)Molar Volume: 180.7 cm3; (16)Polarizability: 23.93×10-24cm3; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 123.5 °C; (20)Enthalpy of Vaporization: 51.93 kJ/mol; (21)Boiling Point: 280.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00375 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It may cause sensitization by skin contact. Wear suitable protective clothing and gloves if you use it.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC(C)(C)C)Nc1ccccc1N
2.InChI: InChI=1/C11H16N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,12H2,1-3H3,(H,13,14)
3.InChIKey: KCZFBLNQOSFGSH-UHFFFAOYAU