2-amino-3,3,3-trifluoropropanoic acid hydrochloride - CAS 96105-72-5
Catalog: |
BB041945 |
Product Name: |
2-amino-3,3,3-trifluoropropanoic acid hydrochloride |
CAS: |
96105-72-5 |
Synonyms: |
H-DL-Ala(F3)-OH HCl |
IUPAC Name: | 2-amino-3,3,3-trifluoropropanoic acid;hydrochloride |
Description: | 2-amino-3,3,3-trifluoropropanoic acid hydrochloride (CAS# 96105-72-5) is a useful research chemical. |
Molecular Weight: | 179.52 |
Molecular Formula: | C3H5ClF3NO2 |
Canonical SMILES: | C(C(=O)O)(C(F)(F)F)N.Cl |
InChI: | InChI=1S/C3H4F3NO2.ClH/c4-3(5,6)1(7)2(8)9;/h1H,7H2,(H,8,9);1H |
InChI Key: | MRYBJJRPTNOPQK-UHFFFAOYSA-N |
Boiling Point: | 254.9 °C at 760 mmHg |
Purity: | 95 % |
Appearance: | Solid |
MDL: | MFCD04973034 |
LogP: | 1.46290 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017311047-A1 | TLR7/8 antagonists and uses thereof | 20160808 |
CA-3033240-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
EP-3497094-A1 | Tlr7/8 antagonists and uses thereof | 20160808 |
JP-2019527718-A | TLR7 / 8 antagonists and their use | 20160808 |
KR-20190038616-A | TLR7 / 8 antagonists and their uses | 20160808 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.9960906 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.9960906 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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