(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid supplier

Name
(S)-N-Fmoc-2-(3'-butenyl)glycine
EINECS
CAS No. 851909-08-5
Article Data7
CAS DataBase
Density 1.223 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₁NO₄
Boiling Point 573.744 °C at 760 mmHg
Molecular Weight 351.40
Flash Point 300.79 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-N-Fmoc-2-(3'-butenyl)glycine;
PSA 79.12000
LogP 4.14890

(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid Specification

The (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid, with the CAS registry number 851909-08-5, is also known (S)-N-Fmoc-2-(3'-butenyl)glycine. This chemical's molecular formula is C₂₁H₂₁NO₄ and molecular weight is 351.40. What's more, its systematic name is the same with its product name.

Physical properties about (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid are: (1)ACD/LogP: 4.778; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.71; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 21.62; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 81.27; (8)ACD/KOC (pH 7.4): 2.69; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 97.538 cm³; (15)Molar Volume: 287.339 cm³; (16)Polarizability: 38.667×10^-24cm³; (17)Surface Tension: 51.693 dyne/cm; (18)Density: 1.223 g/cm³; (19)Flash Point: 300.79 °C; (20)Enthalpy of Vaporization: 90.443 kJ/mol; (21)Boiling Point: 573.744 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)CC\C=C
(2) InChI: InChI=1S/C21H21NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h2,4-11,18-19H,1,3,12-13H2,(H,22,25)(H,23,24)/t19-/m0/s1
(3) InChIKey: CPJQXKHZCVDRSX-IBGZPJMESA-N

Product Name

(S)-N-Fmoc-2-(3'-butenyl)glycine

(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid Specification

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