Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid |
EINECS | N/A |
CAS No. | 942518-20-9 | Density | N/A |
PSA | 125.38000 | LogP | 3.52236 |
Solubility | N/A | Melting Point |
124.0 to 128.0 °C |
Formula | C19H18N4O4 | Boiling Point | N/A |
Molecular Weight | 366.376 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | 61 | Risk Codes | 50 |
Molecular Structure | Hazard Symbols | N | |
Synonyms |
(2S)-N-FMoc-4-azido-butanoic acid; |
Article Data | 7 |
The (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid, with the CAS registry number 942518-20-9, is also known as (2S)-N-FMoc-4-azido-butanoic acid. It belongs to the product category of Fmoc Amino Acids. This chemical's molecular formula is C19H18N4O4 and molecular weight is 366.37. What's more, its systematic name is called (2S)-4-Azido-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid.
Physical properties about (S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid are: (1)ACD/LogP: 4.047; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 3.80; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 20.55; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 87.99 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)-c3ccccc3C2COC(=O)N[C@@H](CCN=[N+]=[N-])C(=O)O
(2) InChI: InChI=1S/C19H18N4O4/c20-23-21-10-9-17(18(24)25)22-19(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,22,26)(H,24,25)/t17-/m0/s1
(3) InChIKey: CLEZARXVEABQBI-KRWDZBQOSA-N