N,3-Dimethylaniline - CAS 696-44-6
Catalog: |
BB067264 |
Product Name: |
N,3-Dimethylaniline |
CAS: |
696-44-6 |
Synonyms: |
N,3-Dimethylbenzenamine; N-Methyl-m-toluidine; N-(3-Methylphenyl)methylamine; N-Methyl(3-methylphenyl)amine; N-Methyl-N-(3-methylphenyl)amine; NSC 9396; m,N-Dimethylaniline; Tolnaftate EP Impurity D |
IUPAC Name: | N,3-dimethylaniline |
Description: | N,3-Dimethylaniline (Tolnaftate EP Impurity D) is a Tolnaftate (T535400) impurity. |
Molecular Weight: | 121.18 |
Molecular Formula: | C8H11N |
Canonical SMILES: | CC1=CC(=CC=C1)NC |
InChI: | InChI=1S/C8H11N/c1-7-4-3-5-8(6-7)9-2/h3-6,9H,1-2H3 |
InChI Key: | FBGJJTQNZVNEQU-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Light Yellow to Dark Yellow Oil |
Storage: | Refrigerator, under inert atmosphere |
References: | Erickson, R., et al. Environ. Toxicol. Chem., 25, 1512 (2006), Kelly, B., et al. Science, 317, 236 (2007),. |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 80.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.089149355 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.089149355 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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