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Boc-D-Allylglycine

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Name

Boc-D-Allylglycine

EINECS N/A
CAS No. 170899-08-8 Density 1.1835 (rough estimate)
PSA 75.63000 LogP 1.93130
Solubility N/A 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 N/A Appearance clear pale yellow viscous liquid
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 170899-08-8 (Boc-D-Allylglycine) Hazard Symbols IrritantXi
Synonyms

4-Pentenoicacid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-, (R)-;(R)-N-tert-Butoxycarbonyl-2-amino-4-pentenoic acid;(R)-N-BOC-Allylglycine;

Article Data 5

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

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