Basic Information | Post buying leads | Suppliers |
Name |
(S)-3-(Fmoc-amino)-5-hexenoic acid |
EINECS | N/A |
CAS No. | 270263-04-2 | Density | 1.222 g/cm3 |
PSA | 75.63000 | LogP | 4.33540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H21NO4 | Boiling Point | 576.6 °C at 760 mmHg |
Molecular Weight | 351.402 | Flash Point | 302.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Fmoc-(S)-3-Amino-5-hexenoic acid;Fmoc-4-vinyl-L-β-homoalanine;(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}hex-5-enoic acid;5-Hexenoic acid,3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (3S)-; |
The (S)-3-(Fmoc-amino)-5-hexenoic acid, with the CAS registry number 270263-04-2, is also known as Fmoc-4-vinyl-L-β-homoalanine. It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C21H21NO4 and molecular weight is 351.4. What's more, its systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hex-5-enoic acid. The product should be sealed and stored in containers with dry inert gas which are placed in cool, ventilated and dry places. Its storage temperature is 2 - 8 °C. You should not breathe dust. When using it, you should avoid contacting with skin and eyes.
Physical properties of (S)-3-(Fmoc-amino)-5-hexenoic acid are: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 82.15; (6)ACD/BCF (pH 7.4): 1.36; (7)ACD/KOC (pH 5.5): 356.93; (8)ACD/KOC (pH 7.4): 5.9; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 97.53 cm3; (15)Molar Volume: 287.3 cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.222 g/cm3; (18)Flash Point: 302.5 °C; (19)Enthalpy of Vaporization: 90.82 kJ/mol; (20)Boiling Point: 576.6 °C at 760 mmHg; (21)Vapour Pressure: 3.88E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C\C=C
(2)InChI: InChI=1S/C21H21NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h2-6,8-11,14,19H,1,7,12-13H2,(H,22,25)(H,23,24)/t14-/m0/s1
(3)InChIKey: SVCMPCVPSYAVJO-AWEZNQCLSA-N