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40851-66-9

Basic Information
CAS No.: 40851-66-9
Name: 2-(Boc-aminomethyl)phenylacetic acid
Article Data: 10
Molecular Structure:
Molecular Structure of 40851-66-9 (2-(Boc-aminomethyl)phenylacetic acid)
Formula: C14H19NO4
Molecular Weight: 265.309
Synonyms: [2-(tert-Butoxycarbonylaminomethyl)phenyl]aceticacid;[o-(tert-Butoxycarbonylaminomethyl)phenyl]acetic acid;
EINECS: 637-014-7
Density: 1.163 g/cm3
Boiling Point: 435.2 °C at 760 mmHg
Flash Point: 217 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-36
Safety: 36
PSA: 75.63000
LogP: 2.72930
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  • 2-(2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid40851-66-9

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    40851-66-9

    2-(2-(((tert-Butoxycarbonyl)amino)methyl)phenyl)acetic acid40851-66-9

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  • 2-(Boc-aminomethyl)phenylacetic acid

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    2-(Boc-aminomethyl)phenylacetic acid

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    SuperlistName: 2-(Boc-aminomethyl)phenylaceticacid MolecularStructure: 230)this.width=230;" /> Formula: C14H19NO4 …Appearance:white to off-white crystalline powder Storage:dry place Package:200kg/drum Transportatio

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    2-(Boc-aminomethyl)phenylacetic acid

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    2-(Boc-aminomethyl)phenylacetic acid

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  • Benzeneacetic acid,2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-

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    40851-66-9

    Benzeneacetic acid,2-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-

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  • 2-(Boc-aminomethyl)phenylacetic acid

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    40851-66-9

    2-(Boc-aminomethyl)phenylacetic acid

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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