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2-chloro-N,N-bis[(4-chlorophenyl)methyl]ethanamine 5421-74-9 98%
【Name】
2-chloro-N,N-bis(4-chlorobenzyl)ethanamine
【Iupac name】
2-chloro-N,N-bis[(4-chlorophenyl)methyl]ethanamine hydrochloride
【CAS Registry number】
5421-74-9
【Synonyms】
NSC11490
NSC-11490
LS-61660
5421-74-9
【Molecular Formula】
C16H16Cl3N (Products with the same molecular formula)
【Molecular Weight】
328.6639
【Inchi】
InChI=1/C16H16Cl3N/c17-9-10-20(11-13-1-5-15(18)6-2-13)12-14-3-7-16(19)8-4-14/h1-8H,9-12H2
【Canonical SMILES】
C1=CC(=CC=C1CN(CCCl)CC2=CC=C(C=C2)Cl)Cl.Cl
【MOL File】
5421-74-9.mol
Chemical and Physical Properties
【Density】
1.271g/cm3
【Boiling Point】
373°C at 760 mmHg
【Refractive Index】
1.595
【Flash Point】
179.4°C
【Computed Properties】
Molecular Weight:365.12488 [g/mol]
Molecular Formula:C16H17Cl4N
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:6
Exact Mass:365.00856
MonoIsotopic Mass:363.01151
Topological Polar Surface Area:3.2
Heavy Atom Count:21
Formal Charge:0
Complexity:234
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:2
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