2-(Boc-aminomethyl)phenylacetic acid supplier

Name
2-(Boc-aminomethyl)phenylacetic acid
EINECS 637-014-7
CAS No. 40851-66-9
Article Data10
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₄
Boiling Point 435.2 °C at 760 mmHg
Molecular Weight 265.309
Flash Point 217 °C
Transport Information
Appearance
Safety 36
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms [2-(tert-Butoxycarbonylaminomethyl)phenyl]aceticacid;[o-(tert-Butoxycarbonylaminomethyl)phenyl]acetic acid;
PSA 75.63000
LogP 2.72930

2-(Boc-aminomethyl)phenylacetic acid Specification

The 2-(Boc-aminomethyl)phenylacetic acid with the CAS number 40851-66-9 is also called Benzeneacetic acid,2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-. The systematic name is (2-{[(tert-butoxycarbonyl)amino]methyl}phenyl)acetic acid. Its molecular formula is C₁₄H₁₉NO₄. This chemical belongs to the following product categories: (1)Beta-Amino Acids; (2)Peptide Synthesis; (3)Unnatural Amino Acid Derivatives.

The properties of the chemical are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1.85; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.24; (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: 55.84 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 70.78 cm³; (15)Molar Volume: 228 cm³; (16)Polarizability: 28.06×10^-24cm³; (17)Surface Tension: 44.5 dyne/cm; (18)Enthalpy of Vaporization: 72.89 kJ/mol; (19)Vapour Pressure: 2.4×10^-8 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful if swallowed. It is irritating to skin. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCc1ccccc1CC(=O)O
(2)InChI: InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15-9-11-7-5-4-6-10(11)8-12(16)17/h4-7H,8-9H2,1-3H3,(H,15,18)(H,16,17)
(3)InChIKey: CGPQRFCFBISLKF-UHFFFAOYAQ

Product Name

2-(Boc-aminomethyl)phenylacetic acid

2-(Boc-aminomethyl)phenylacetic acid Specification

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