1-{[4-(Aminomethyl)phenyl]methyl}-1,2-dihydropyridin-2-one Hydrochloride - CAS 1197850-84-2
Catalog: |
BB073278 |
Product Name: |
1-{[4-(Aminomethyl)phenyl]methyl}-1,2-dihydropyridin-2-one Hydrochloride |
CAS: |
1197850-84-2 |
Synonyms: |
1-{[4-(aminomethyl)phenyl]methyl}-1,2-dihydropyridin-2-one hydrochloride; 1-[[4-(aminomethyl)phenyl]methyl]pyridin-2-one; hydrochloride; 1-(4-(Aminomethyl)benzyl)pyridin-2(1H)-one hydrochloride; 1-{[4-(aminomethyl)phenyl]methyl}-1,2-dihydropyridin-2-onehydrochloride |
IUPAC Name: | 1-[[4-(aminomethyl)phenyl]methyl]pyridin-2-onehydrochloride |
Molecular Weight: | 250.72 |
Molecular Formula: | C13H14N2O·HCl |
Canonical SMILES: | C1=CC(=O)N(C=C1)CC2=CC=C(C=C2)CN.Cl |
InChI: | InChI=1S/C13H14N2O.ClH/c14-9-11-4-6-12(7-5-11)10-15-8-2-1-3-13(15)16/h1-8H,9-10,14H21H |
InChI Key: | VULDQKRUJWUIBM-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: | 301 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.0872908 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0872908 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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