4-Ethoxy-6-methyl-1,3-benzenediamine Hydrochloride - CAS 113715-25-6
Catalog: |
BB065995 |
Product Name: |
4-Ethoxy-6-methyl-1,3-benzenediamine Hydrochloride |
CAS: |
113715-25-6 |
Synonyms: |
2,4-Diamino-5-methylphenetole hydrochloride; 2,4-Diamino-5-methylphenetole HCl; 4-ethoxy-6-methylbenzene-1,3-diamine; dihydrochloride; 2,4-Diamino-5-ethoxytoluene dihydrochloride; 2,4-Diamino-5-methylphenetole HCl [INCI]; 1,3-Benzenediamine, 4-ethoxy-6-methyl-, dihydrochloride; 1,3-Benzenediamine, 4-ethoxy-6-methyl-, hydrochloride (1:2) |
IUPAC Name: | 4-ethoxy-6-methylbenzene-1,3-diaminedihydrochloride |
Molecular Weight: | 239.14 |
Molecular Formula: | C9H16Cl2N2O |
Canonical SMILES: | CCOC1=C(C=C(C(=C1)C)N)N.Cl.Cl |
InChI: | InChI=1S/C9H14N2O.2ClH/c1-3-12-9-4-6(2)7(10)5-8(9)11/h4-5H,3,10-11H2,1-2H32*1H |
InChI Key: | YWJGJCGDAUWAQI-UHFFFAOYSA-N |
References: | Bugaut, A., et al. m-Phenylenediamines and Their Use in Dyeing Keratin Fibers. Fr. Demande 2473513. Jul 17, 1981. |
GHS Hazard Statement: | H317: May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0639685 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0639685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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