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(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid

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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 Molecular Structure of 942518-20-9 ((S)-2-(((9H-FLUOREN-9-YL)METHOXY)CARBONYLAMINO)-4-AZIDOBUTANOIC ACID) Hazard Symbols N
Synonyms

(2S)-N-FMoc-4-azido-butanoic acid;

Article Data 7

(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-4-azidobutanoic acid Specification

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

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