Boc-N-methyl-D-alanine supplier

Name
BOC-N-methyl-D-alanine
EINECS 675-994-8
CAS No. 19914-38-6
Article Data1
CAS DataBase
Density 1.111 g/cm³
Solubility
Melting Point 88-92 °C
Formula C₉H₁₇NO₄
Boiling Point 296.3 °C at 760 mmHg
Molecular Weight 203.238
Flash Point 133 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,N-carboxy-N-methyl-, N-tert-butyl ester, D- (8CI);(2R)-2-[(tert-Butoxycarbonyl)methylamino]propionic acid;N-(tert-Butoxycarbonyl)-N-methyl-D-alanine;N-alpha-t-Boc-N-alpha-methyl-D-alanine;
PSA 66.84000
LogP 1.32640

Boc-N-methyl-D-alanine Specification

The systematic name of Boc-N-methyl-D-alanine is N-(tert-butoxycarbonyl)-N-methyl-D-alanine. With the CAS registry number 19914-38-6, it is also named as N-alpha-t-Boc-N-alpha-methyl-D-alanine. The product's categories are Alanine [Ala, A]; N-Methyl Amino Acids; Boc-Amino Acid Series. Besides, it is white powder, which should be stored in refrigerated, airtight, dry place at -20 °C. In addition, its molecular formula is C₉H₁₇NO₄and molecular weight is 203.23.

The characteristics of Boc-N-methyl-D-alanine are as followings: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 2.19; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 55.84 Å²; (11)Index of Refraction: 1.466; (12)Molar Refractivity: 50.72 cm³; (13)Molar Volume: 182.8 cm³; (14)Polarizability: 20.11×10^-24cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Density: 1.111 g/cm³; (17)Flash Point: 133 °C; (18)Enthalpy of Vaporization: 58.97 kJ/mol; (19)Boiling Point: 296.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00035 mmHg at 25°C; (21)Melting Point: 88-92 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N(C)[C@@H](C(=O)O)C
(2)InChI: InChI=1/C9H17NO4/c1-6(7(11)12)10(5)8(13)14-9(2,3)4/h6H,1-5H3,(H,11,12)/t6-/m1/s1
(3)InChIKey: VLHQXRIIQSTJCQ-ZCFIWIBFBX

Product Name

BOC-N-methyl-D-alanine

Boc-N-methyl-D-alanine Specification

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