4-(2-Boc-aminoethyl)benzoic acid supplier

Name
4-(2-Boc-aminoethyl)benzoic acid
EINECS
CAS No. 132690-91-6
Article Data14
CAS DataBase
Density 1.155 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₄
Boiling Point 440.547 °C at 760 mmHg
Molecular Weight 265.309
Flash Point 220.235 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-{2-[(tert-Butoxycarbonyl)amino]ethyl}benzoic acid;
PSA 75.63000
LogP 2.84290

4-(2-Boc-aminoethyl)benzoic acid Specification

The 4-(2-Boc-aminoethyl)benzoic acid, with the CAS registry number 132690-91-6, is also known as Benzoic acid, 4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-. This chemical's molecular formula is C₁₄H₁₉NO₄ and molecular weight is 265.3. What's more, its systematic name is called 4-{2-[(tert-Butoxycarbonyl)amino]ethyl}benzoic acid.

Physical properties about 4-(2-Boc-aminoethyl)benzoic acid are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 58; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 71.232 cm³; (15)Molar Volume: 229.66 cm³; (16)Surface Tension: 44.362 dyne/cm; (17)Density: 1.155 g/cm³; (18)Flash Point: 220.235 °C; (19)Enthalpy of Vaporization: 73.534 kJ/mol; (20)Boiling Point: 440.547 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1ccc(CCNC(=O)OC(C)(C)C)cc1
(2) InChI: InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15-9-8-10-4-6-11(7-5-10)12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
(3) InChIKey: IIHASBWHDACFGZ-UHFFFAOYAZ

Product Name

4-(2-Boc-aminoethyl)benzoic acid

4-(2-Boc-aminoethyl)benzoic acid Specification

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