5-(2-chloranyl-4-methyl-phenoxy)pentane-1,3-diamine dihydrochloride

Systemtic Name: 5-(2-chloranyl-4-methyl-phenoxy)pentane-1,3-diamine dihydrochloride Openeye Name: 5-(2-chloro-4-methyl-phenoxy)pentane-1,3-diamine dihydrochloride CAS Name: 5-(2-chloro-4-methylphenoxy)pentane-1,3-diamine dihydrochloride IUPAC Name: 5-(2-chloro-4-methylphenoxy)pentane-1,3-diamine dihydrochloride Traditional Name: [3-amino-5-(2-chloro-4-methyl-phenoxy)pentyl]amine dihydrochloride Formula: C12H21Cl3N2O MolecularWeight: 315.66694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(CCN)N)Cl.Cl.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(CCN)N)Cl.Cl.Cl

InChI

InChI=1S/C12H19ClN2O.2ClH/c1-9-2-3-12(11(13)8-9)16-7-5-10(15)4-6-14;;/h2-3,8,10H,4-7,14-15H2,1H3;2*1H