2,5-Diamino-6-fluorohexanoic Acid Dihydrochloride - CAS 124796-41-4
Catalog: |
BB068394 |
Product Name: |
2,5-Diamino-6-fluorohexanoic Acid Dihydrochloride |
CAS: |
124796-41-4 |
Synonyms: |
5-Amino-6-fluoro-norleucine, Dihydrochloride |
IUPAC Name: | 2,5-diamino-6-fluorohexanoic aciddihydrochloride |
Description: | 2,5-Diamino-6-fluorohexanoic Acid Dihydrochloride is used in the preparation of 5-substituted ornithine derivatives for treatment of ammonia intoxication and conditional ornithine deficiency. |
Molecular Weight: | 164.18 + 2(36.46) |
Molecular Formula: | C6H13FN2O2·2HCl |
Canonical SMILES: | C(CC(C(=O)O)N)C(CF)N.Cl.Cl |
InChI: | InChI=1S/C6H13FN2O2.2ClH/c7-3-4(8)1-2-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)2*1H |
InChI Key: | ZOZPMKYVFZNAHT-UHFFFAOYSA-N |
References: | Gerhart, F. E., et al. Eur. Pat. Appl. (1989), EP 326766 A1 19890809. |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0494613 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0494613 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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