Boc-L-aspartic acid 4-methyl ester supplier

Name
Boc-L-aspartic acid 4-methyl ester
EINECS
CAS No. 59768-74-0
Article Data21
CAS DataBase
Density 1.209 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇NO₆
Boiling Point 411.523 °C at 760 mmHg
Molecular Weight 247.248
Flash Point 202.682 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-2-(tert-Butoxycarbonylamino)-4-methoxy-4-oxobutanoicacid;Boc-L-aspartic acid b-methyl ester;N-tert-Butoxycarbonylaspartic acid b-methyl ester;Boc-Asp(OMe)-OH·DCHA;
PSA 101.93000
LogP 0.91830

Boc-L-aspartic acid 4-methyl ester Specification

The Boc-L-aspartic acid 4-methyl ester, with the CAS registry number 59768-74-0, is also known as Boc-Asp(OMe)-OH. It belongs to the product categories of Amino Acid Derivatives; Aspartic Acid [Asp, D]; Boc-Amino Acids and Derivative; Boc-Amino Acid Series. This chemical's molecular formula is C₁₀H₁₇NO₆ and molecular weight is 247.25. What's more, both its IUPAC name and systematic name are the same which is called (2S)-4-Methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid. It should be kept in a cold, dry and sealed place at -20 °C.

Physical properties about Boc-L-aspartic acid 4-methyl ester are: (1)ACD/LogP: 1.467; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.80; (4)ACD/LogD (pH 7.4): -2.15; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 101.93 Å²; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 57.011 cm³; (15)Molar Volume: 204.434 cm³; (16)Polarizability: 22.601×10^-24cm³; (17)Surface Tension: 42.41 dyne/cm; (18)Density: 1.209 g/cm³; (19)Flash Point: 202.682 °C; (20)Enthalpy of Vaporization: 72.851 kJ/mol; (21)Boiling Point: 411.523 °C at 760 mmHg; (22)Vapour Pressure: 0 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](C(=O)O)CC(=O)OC
(2) InChI: InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11-6(8(13)14)5-7(12)16-4/h6H,5H2,1-4H3,(H,11,15)(H,13,14)/t6-/m0/s1
(3) InChIKey: WFPSMPYVXFVVFA-LURJTMIESA-N

Product Name

Boc-L-aspartic acid 4-methyl ester

Boc-L-aspartic acid 4-methyl ester Specification

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