Benzoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy- supplier

Name
3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid
EINECS
CAS No. 232595-59-4
Article Data3
CAS DataBase
Density 1.337 g/cm³
Solubility
Melting Point 150 °C
Formula C₁₂H₁₅NO₅
Boiling Point 395.8 °C at 760 mmHg
Molecular Weight 253.255
Flash Point 193.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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
PSA 95.86000
LogP 2.51040

Benzoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy- 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

Product Name

3-[(tert-Butoxycarbonyl)amino]-5-hydroxybenzoic acid

Benzoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-5-hydroxy- Specification

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