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831200-89-6 | Benzenemethanamine, N-[1-[1-methyl-1-(phenylseleno)ethyl]-3-butenyl]-
CAS No: 831200-89-6 Catalog No: AG004WD4 MDL No:
Product Description
Catalog Number:
AG004WD4
Chemical Name:
Benzenemethanamine, N-[1-[1-methyl-1-(phenylseleno)ethyl]-3-butenyl]-
CAS Number:
831200-89-6
Molecular Formula:
C20H25NSe
Molecular Weight:
358.3792
IUPAC Name:
N-benzyl-2-methyl-2-phenylselanylhex-5-en-3-amine
InChI:
InChI=1S/C20H25NSe/c1-4-11-19(21-16-17-12-7-5-8-13-17)20(2,3)22-18-14-9-6-10-15-18/h4-10,12-15,19,21H,1,11,16H2,2-3H3
InChI Key:
DTVBFOBBRLJXSC-UHFFFAOYSA-N
SMILES:
C=CCC(C([Se]c1ccccc1)(C)C)NCc1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.398g/mol
Monoisotopic Mass:
359.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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