3-(Trifluoromethyl)cyclohexanamine - CAS 56287-83-3
Catalog: |
BB029320 |
Product Name: |
3-(Trifluoromethyl)cyclohexanamine |
CAS: |
56287-83-3 |
Synonyms: |
3-(trifluoromethyl)-1-cyclohexanamine; 3-(trifluoromethyl)cyclohexan-1-amine |
IUPAC Name: | 3-(trifluoromethyl)cyclohexan-1-amine |
Description: | 3-(Trifluoromethyl)cyclohexanamine (CAS# 56287-83-3 ) is a useful research chemical. |
Molecular Weight: | 167.17 |
Molecular Formula: | C7H12F3N |
Canonical SMILES: | C1CC(CC(C1)N)C(F)(F)F |
InChI: | InChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2 |
InChI Key: | FFCACAFKNHPVNI-UHFFFAOYSA-N |
LogP: | 2.76650 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2019382373-A1 | 6-AMINOPYRIDIN-3-YL PYRAZOLES AS MODULATORS OF RORgT | 20180618 |
WO-2019244001-A1 | 6-aminopyridin-3-yl pyrazoles as modulators of roryt | 20180618 |
EP-3806958-A1 | 6-aminopyridin-3-yl pyrazoles as modulators of roryt | 20180618 |
US-10975057-B2 | 6-aminopyridin-3-yl pyrazoles as modulators of RORgT | 20180618 |
WO-2018072602-A1 | Therapeutic compounds and methods of use thereof | 20161017 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.09218387 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.09218387 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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