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N-benzyl-1-(2-methoxyphenyl)-N-methyl-propan-2-amine N-benzyl-1-(2-methoxyphenyl)-N-methylpropan-2-amine 5331-86-2
Identification and Related Records
【Name】
N-benzyl-1-(2-methoxyphenyl)-N-methylpropan-2-amine
【Iupac name】
N-benzyl-1-(2-methoxyphenyl)-N-methylpropan-2-amine hydrochloride
【CAS Registry number】
5331-86-2
【Synonyms】
NSC2335
NSC-2335
N-BENZYL-3-(2-METHOXYPHENYL)-N-METHYL-2-PROPANAMINE, HYDROCHLORIDE
5331-86-2
【Molecular Formula】
C18H23NO (Products with the same molecular formula)
【Molecular Weight】
269.3813
【Inchi】
InChI=1/C18H23NO/c1-15(13-17-11-7-8-12-18(17)20-3)19(2)14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3
【Canonical SMILES】
CC(CC1=CC=CC=C1OC)N(C)CC2=CC=CC=C2.Cl
【MOL File】
5331-86-2.mol
Chemical and Physical Properties
【Density】
1.019g/cm3
【Boiling Point】
363.9°C at 760 mmHg
【Refractive Index】
1.553
【Flash Point】
107.4°C
【Computed Properties】
Molecular Weight:305.84226 [g/mol]
Molecular Formula:C18H24ClNO
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:6
Exact Mass:305.154642
MonoIsotopic Mass:305.154642
Topological Polar Surface Area:12.5
Heavy Atom Count:21
Formal Charge:0
Complexity:262
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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