(S)-2-Amino-3,3,3-trifluoro-1-propanol Hydrochloride - CAS 1255946-09-8
Catalog:
BB006146
Product Name:
(S)-2-Amino-3,3,3-trifluoro-1-propanol Hydrochloride
CAS:
1255946-09-8
Synonyms:
(S)-2-Amino-3,3,3-trifluoropropan-1-ol hydrochloride; (2S)-2-Amino-3,3,3-trifluoropropan-1-ol HCl
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BB006146
1 g
$949
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IUPAC Name: (2S)-2-amino-3,3,3-trifluoropropan-1-ol;hydrochloride
Molecular Weight: 165.54
Molecular Formula: C3H7ClF3NO
Canonical SMILES: C(C(C(F)(F)F)N)O.Cl
InChI: InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(7)1-8;/h2,8H,1,7H2;1H/t2-;/m0./s1
InChI Key: HIRRLLQTXSVEDV-DKWTVANSSA-N
Purity: 95%
LogP: 1.37060
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
WO-2021081375-A1 Inhibitors of raf kinases 20191024
US-11098031-B1 Inhibitors of RAF kinases 20191024
US-2021300904-A1 Inhibitors of raf kinases 20191024
AU-2017342156-A1 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors 20161013
EP-3526206-A1 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin d synthase inhibitors 20161013
Complexity: 71.4
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 2
Defined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Exact Mass: 165.0168260
Formal Charge: 0
Heavy Atom Count: 9
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 3
Isotope Atom Count: 0
Monoisotopic Mass: 165.0168260
Rotatable Bond Count: 1
Topological Polar Surface Area: 46.2 Å2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
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