Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride - CAS 169605-23-6
Catalog: |
BB012562 |
Product Name: |
Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride |
CAS: |
169605-23-6 |
Synonyms: |
methyl 3-amino-4,4,4-trifluorobutanoate;hydrochloride |
IUPAC Name: | methyl 3-amino-4,4,4-trifluorobutanoate;hydrochloride |
Description: | Methyl 3-amino-4,4,4-trifluorobutyrate hydrochloride (CAS# 169605-23-6 ) is a useful research chemical. |
Molecular Weight: | 207.58 |
Molecular Formula: | C5H9ClF3NO2 |
Canonical SMILES: | COC(=O)CC(C(F)(F)F)N.Cl |
InChI: | InChI=1S/C5H8F3NO2.ClH/c1-11-4(10)2-3(9)5(6,7)8;/h3H,2,9H2,1H3;1H |
InChI Key: | CKVHKPQCIBOZON-UHFFFAOYSA-N |
MDL: | MFCD09763688 |
LogP: | 1.94140 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2890155-A1 | Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use as soluble guanylate cyclase stimulants | 20121105 |
CA-2910144-A1 | Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use as soluble guanylate cyclase stimulants | 20121105 |
EP-2914595-A1 | Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use as soluble guanylate cyclase stimulants | 20121105 |
JP-2015535271-A | Carboxy-substituted imidazo [1,2-a] pyridinecarboxamide and uses thereof | 20121105 |
US-2014128425-A1 | Carboxy-substituted imidazo[1,2-a]pyridinecarboxamides and their use | 20121105 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0273907 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0273907 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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