4-Amino-1-(trifluoromethyl)cyclohexanol Hydrochloride - CAS 1421602-78-9
Catalog: |
BB074499 |
Product Name: |
4-Amino-1-(trifluoromethyl)cyclohexanol Hydrochloride |
CAS: |
1421602-78-9 |
Synonyms: |
4-amino-1-(trifluoromethyl)cyclohexan-1-ol hydrochloride; 4-Amino-1-(trifluoromethyl)cyclohexanol hydrochloride; 4-Amino-1-(trifluoromethyl)cyclohexan-1-ol HCl; cis-4-amino-1-(trifluoromethyl)cyclohexanol; hydrochloride; rac-(1r,4r)-4-amino-1-(trifluoromethyl)cyclohexan-1-ol hydrochloride |
IUPAC Name: | 4-amino-1-(trifluoromethyl)cyclohexan-1-olhydrochloride |
Molecular Weight: | 219.63 |
Molecular Formula: | C7H13ClF3NO |
Canonical SMILES: | C1CC(CCC1N)(C(F)(F)F)O.Cl |
InChI: | InChI=1S/C7H12F3NO.ClH/c8-7(9,10)6(12)3-1-5(11)2-4-6/h5,12H,1-4,11H21H |
InChI Key: | HYHNUWFMAWKRDR-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.0637762 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.0637762 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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