Boc-(R)-3-Amino-4-(3-methyl-phenyl)-butyric acid supplier

Name
Boc-(R)-3-Amino-4-(3-methyl-phenyl)-butyric acid
EINECS
CAS No. 269398-83-6
Density 1.122 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₃NO₄
Boiling Point 457.9 °C at 760 mmHg
Molecular Weight 293.36
Flash Point 230.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-T-Butoxycarbonyl-(R)-3-amino-4-(3-methylphenyl)butanoic acid;
PSA 75.63000
LogP 3.29640

Boc-(R)-3-Amino-4-(3-methyl-phenyl)-butyric acid Specification

The Boc-(R)-3-Amino-4-(3-methyl-phenyl)-butyric acid, with the CAS registry number 269398-83-6, is also known as N-T-Butoxycarbonyl-(R)-3-amino-4-(3-methylphenyl)butanoic acid. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₁₆H₂₃NO₄and molecular weight is 293.36. What's more, its systematic name is (3R)-3-[(tert-butoxycarbonyl)amino]-4-(3-methylphenyl)butanoic acid. It is irritant.

Physical properties of Boc-(R)-3-Amino-4-(3-methyl-phenyl)-butyric acid are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 20.86; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 138.04; (8)ACD/KOC (pH 7.4): 2.25; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 79.91 cm³; (15)Molar Volume: 261.4 cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.122 g/cm³; (18)Flash Point: 230.7 °C; (19)Enthalpy of Vaporization: 75.67 kJ/mol; (20)Boiling Point: 457.9 °C at 760 mmHg; (21)Vapour Pressure: 3.54E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](Cc1cccc(c1)C)CC(=O)O
(2)InChI: InChI=1S/C16H23NO4/c1-11-6-5-7-12(8-11)9-13(10-14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1
(3)InChIKey: JTZSMOJWZPUZGN-CYBMUJFWSA-N

Product Name

Boc-(R)-3-Amino-4-(3-methyl-phenyl)-butyric acid

Boc-(R)-3-Amino-4-(3-methyl-phenyl)-butyric acid Specification

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