1-Amino-3-fluoro-2-propanol Hydrochloride - CAS 53460-74-5
Catalog: |
BB028231 |
Product Name: |
1-Amino-3-fluoro-2-propanol Hydrochloride |
CAS: |
53460-74-5 |
Synonyms: |
1-amino-3-fluoro-2-propanol;hydrochloride; 1-amino-3-fluoropropan-2-ol;hydrochloride |
IUPAC Name: | 1-amino-3-fluoropropan-2-ol;hydrochloride |
Description: | 1-Amino-3-fluoropropan-2-ol Hydrochloride can be used as a CFTR modulators to treat cystic fibrosis. |
Molecular Weight: | 129.56 |
Molecular Formula: | C3H9ClFNO |
Canonical SMILES: | C(C(CF)O)N.Cl |
InChI: | InChI=1S/C3H8FNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H |
InChI Key: | IBSQVUYDIGJWNS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2016272702-A1 | Substituted pyridines and method of use | 20150602 |
CA-2988046-A1 | Substituted pyridines and method of use | 20150602 |
EP-3303294-A1 | Substituted pyridines and method of use | 20150602 |
JP-2018516932-A | Substituted pyridines and methods of use | 20150602 |
KR-20180029204-A | Substituted pyridines and methods of use | 20150602 |
Complexity: | 34 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 129.0356698 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 129.0356698 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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