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| CAS No.: | 162046-50-6 |
|---|---|
| Name: | (2-Amino-benzyl)-carbamic acid tert-butyl ester |
| Molecular Structure: | |
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| Formula: | C12H18N2O2 |
| Molecular Weight: | 222.287 |
| Synonyms: | Carbamicacid, [(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester (9CI);(2-Aminobenzyl)carbamic acid tert-butyl ester;1,1-Dimethylethyl[(2-aminophenyl)methyl]carbamate;tert-Butyl 2-aminobenzylcarbamate; |
| EINECS: | 200-258-5 |
| Density: | 1.095 g/cm3 |
| Melting Point: | 93℃ |
| Boiling Point: | 382.5 °C at 760 mmHg |
| Flash Point: | 185.2 °C |
| PSA: | 64.35000 |
| LogP: | 3.26560 |
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Specification
The Carbamic acid,N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester is an organic compound with the formula C12H18N2O2. The IUPAC name of this chemical is Tert-butyl N-[(2-aminophenyl)methyl]carbamate. With the CAS registry number 162046-50-6, it is also named as (2-Amino-benzyl)-carbamic acid tert-butyl ester. Besides, its molecular weight is 222.2835.
Physical properties about Carbamic acid,N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.61; (2)ACD/LogD (pH 5.5): 1.61; (3)ACD/LogD (pH 7.4): 1.61; (4)ACD/BCF (pH 5.5): 9.76; (5)ACD/BCF (pH 7.4): 9.85; (6)ACD/KOC (pH 5.5): 177.3; (7)ACD/KOC (pH 7.4): 178.98; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 32.78 Å2; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 63.9 cm3; (14)Molar Volume: 202.9 cm3; (15)Polarizability: 25.33×10-24 cm3; (16)Surface Tension: 42 dyne/cm; (17)Density: 1.095 g/cm3; (18)Flash Point: 185.2 °C; (19)Enthalpy of Vaporization: 63.1 kJ/mol; (20)Boiling Point: 382.5 °C at 760 mmHg; (21)Vapour Pressure: 4.69E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8,13H2,1-3H3,(H,14,15)
(2)InChIKey: ZTBNOFSSMFDTHM-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8,13H2,1-3H3,(H,14,15)
(4)Std. InChIKey: ZTBNOFSSMFDTHM-UHFFFAOYSA-N