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| CAS No.: | 232595-59-4 |
|---|---|
| Name: | 3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C12H15NO5 |
| Molecular Weight: | 253.255 |
| Synonyms: | 3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid;3-Amino-5-hydroxybenzoic acid, N-BOC protected;3-Amino-5-hydroxybenzoic acid, N-BOC protected 95%;N-BOC-3-AMINO-5-HYDROXYBENZOIC ACID;3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid 95%;3-(N-Boc-AMino)-5-hydroxybenzoic Acid;3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid, tert-Butyl (3-carboxy-5-hydroxyphenyl)carbamate |
| Density: | 1.337 g/cm3 |
| Melting Point: | 150 °C |
| Boiling Point: | 395.8 °C at 760 mmHg |
| Flash Point: | 193.1 °C |
| PSA: | 95.86000 |
| LogP: | 2.51040 |
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Specification
The Benzoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy- is an organic compound with the formula C12H15NO5. The systematic name of this chemical is 3-[(tert-butoxycarbonyl)amino]-5-hydroxybenzoic acid. With the CAS registry number 232595-59-4, it is also named as 3-(N-Boc-Amino)-5-hydroxybenzoic Acid.
Physical properties about Benzoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy- are: (1)ACD/LogP: 3.01; (2)ACD/LogD (pH 5.5): 1.43; (3)ACD/LogD (pH 7.4): 0.02; (4)ACD/BCF (pH 5.5): 2.97; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.89; (7)ACD/KOC (pH 7.4): 1.07; (8)#H bond acceptors: 6; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 95.86 Å2; (12)Index of Refraction: 1.601; (13)Molar Refractivity: 64.94 cm3; (14)Molar Volume: 189.4 cm3; (15)Polarizability: 25.74×10-24cm3; (16)Surface Tension: 57.8 dyne/cm; (17)Density: 1.337 g/cm3; (18)Flash Point: 193.1 °C; (19)Enthalpy of Vaporization: 68.12 kJ/mol; (20)Boiling Point: 395.8 °C at 760 mmHg; (21)Vapour Pressure: 5.66E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(cc(NC(=O)OC(C)(C)C)c1)C(O)=O
(2)InChI: InChI=1/C12H15NO5/c1-12(2,3)18-11(17)13-8-4-7(10(15)16)5-9(14)6-8/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
(3)InChIKey: KSTCXQVSGVVIAO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C12H15NO5/c1-12(2,3)18-11(17)13-8-4-7(10(15)16)5-9(14)6-8/h4-6,14H,1-3H3,(H,13,17)(H,15,16)
(5)Std. InChIKey: KSTCXQVSGVVIAO-UHFFFAOYSA-N