Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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; |
Article Data | 5 |
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