3-Fluoro-4-(4-methylpiperidin-1-yl)aniline hydrochloride - CAS 1431966-47-0
Catalog: |
BB042957 |
Product Name: |
3-Fluoro-4-(4-methylpiperidin-1-yl)aniline hydrochloride |
CAS: |
1431966-47-0 |
Synonyms: |
AKOS024395323; MCULE-8157724597; 3-Fluoro-4-(4-methylpiperidin-1-yl)aniline HCl; [3-Fluoro-4-(4-methylpiperidin-1-yl)phenyl]amine monohydrochloride |
IUPAC Name: | 3-fluoro-4-(4-methylpiperidin-1-yl)aniline;hydrochloride |
Description: | 3-Fluoro-4-(4-methylpiperidin-1-yl)aniline hydrochloride (CAS# 1431966-47-0 ) is a useful research chemical. |
Molecular Weight: | 244.73 |
Molecular Formula: | C12H18ClFN2 |
Canonical SMILES: | CC1CCN(CC1)C2=C(C=C(C=C2)N)F.Cl |
InChI: | InChI=1S/C12H17FN2.ClH/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13;/h2-3,8-9H,4-7,14H2,1H3;1H |
InChI Key: | YLCIJUSCTFJYLX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
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: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.1142544 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.1142544 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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