Boc-D-Allylglycine supplier | CasNO.170899-08-8

Name
Boc-D-Allylglycine
EINECS
CAS No. 170899-08-8
Article Data5
CAS DataBase
Density 1.1835 (rough estimate)
Solubility
Melting Point 256°C (dec.)(lit.)
Formula C₁₀H₁₇NO₄
Boiling Point 352 °C at 760 mmHg
Molecular Weight 215.249
Flash Point 166.7 °C
Transport Information
Appearance clear pale yellow viscous liquid
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Pentenoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-;(R)-N-tert-Butoxycarbonyl-2-amino-4-pentenoic acid;(R)-N-BOC-Allylglycine;
PSA 75.63000
LogP 1.93130

Boc-D-Allylglycine Specification

The systematic name of 4-Pentenoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)- is N-(tert-butoxycarbonyl)-N-prop-2-en-1-ylglycine. With the CAS registry number 170899-08-8, it is also named as (R)-N-Boc-Allylglycine. The product's categories are Amino Acids; Amino Acid Derivatives; A-amino. Besides, it is clear pale yellow viscous liquid, which should be sealed in cool and dry place. In addition, when you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of 4-Pentenoic acid,2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)- can be summarized as: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.16; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.81; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.479; (14)Molar Refractivity: 55.12 cm³; (15)Molar Volume: 194.1 cm³; (16)Polarizability: 21.85×10^-24cm³; (17)Surface Tension: 39.4 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 146.5 °C; (20)Enthalpy of Vaporization: 61.58 kJ/mol; (21)Boiling Point: 318.6 °C at 760 mmHg; (22)Vapour Pressure: 7.54E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(OC(C)(C)C)N(CC(=O)O)C\C=C
(2)InChI: InChI=1/C10H17NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,13)
(3)InChIKey: FTLUYABUJZUQON-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C10H17NO4/c1-5-6-11(7-8(12)13)9(14)15-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,12,13)
(5)Std. InChIKey: FTLUYABUJZUQON-UHFFFAOYSA-N

Product Name

Boc-D-Allylglycine

Boc-D-Allylglycine Specification

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