4-Methyl-α-[1-(methylamino)ethyl]-benzenemethanol Hydrochloride - CAS 27465-53-8
Catalog: |
BB060434 |
Product Name: |
4-Methyl-α-[1-(methylamino)ethyl]-benzenemethanol Hydrochloride |
CAS: |
27465-53-8 |
Synonyms: |
2-(Methylamino)-1-(p-tolyl)propan-1-ol Hydrochloride |
IUPAC Name: | 2-(methylamino)-1-(4-methylphenyl)propan-1-olhydrochloride |
Description: | 4-Methyl-α-[1-(methylamino)ethyl]-benzenemethanol Hydrochloride is a reagent used for analytical study in determination of drugs of abuse and their metabolites in wastewater using solid phase extraction coupled to liquid chromatography using high resolution mass spectrometry |
Molecular Weight: | 179.26 + (36.46) |
Molecular Formula: | C11H17NO·(HCl) |
Canonical SMILES: | CC1=CC=C(C=C1)C(C(C)NC)O.Cl |
InChI: | InChI=1S/C11H17NO.ClH/c1-8-4-6-10(7-5-8)11(13)9(2)12-3/h4-7,9,11-13H,1-3H31H |
InChI Key: | DDFKODAFZRBBOK-UHFFFAOYSA-N |
References: | Prosen, H., et al. J. Seperation Sci., 40, 3621 (2017). |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P316, P321, P330, P405, and P501 |
Signal Word: | Danger |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.1076919 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
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