Boc-(3-aminomethylphenyl)acetic acid supplier

Name
[3-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PHENYL]-ACETIC ACID
EINECS
CAS No. 71420-95-6
Article Data3
CAS DataBase
Density 1.163 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₄
Boiling Point 435.2 °C at 760 mmHg
Molecular Weight 265.3
Flash Point 217 °C
Transport Information
Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BOC-3-AMINOMETHYL-PHENYLACETIC ACID;[3-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PHENYL]-ACETIC ACID;2-[3-({[(tert-butoxy)carbonyl]aMino}Methyl)phenyl]acetic acid;Benzeneacetic acid,3-[[[(1,1-diMethylethoxy)carbonyl]aMino]Methyl]-
PSA 75.63000
LogP 2.72930

Boc-(3-aminomethylphenyl)acetic acid Specification

The Benzeneacetic acid,3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- is an organic compound with the formula C₁₄H₁₉NO₄. The systematic name of this chemical is (2-{[(tert-butoxycarbonyl)amino]methyl}phenyl)acetic acid. With the CAS registry number 71420-95-6, it is also named as 2-(Boc-aminomethyl)phenylacetic Acid. The product's category is Pharmacetical.

Physical properties about Benzeneacetic acid,3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- are: (1)ACD/LogP: 2.35; (2)ACD/LogD (pH 5.5): 1.06; (3)ACD/LogD (pH 7.4): -0.72; (4)ACD/BCF (pH 5.5): 1.85; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 23.24; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.533; (13)Molar Refractivity: 70.78 cm³; (14)Molar Volume: 228 cm³; (15)Polarizability: 28.06×10^-24cm³; (16)Surface Tension: 44.5 dyne/cm; (17)Density: 1.163 g/cm³; (18)Flash Point: 217 °C; (19)Enthalpy of Vaporization: 72.89 kJ/mol; (20)Boiling Point: 435.2 °C at 760 mmHg; (21)Vapour Pressure: 2.4E-08 mmHg at 25°C.

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
(4)Std. InChI: InChI=1S/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)
(5)Std. InChIKey: CGPQRFCFBISLKF-UHFFFAOYSA-N

Product Name

[3-(TERT-BUTOXYCARBONYLAMINO-METHYL)-PHENYL]-ACETIC ACID

Boc-(3-aminomethylphenyl)acetic acid Specification

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