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115287-37-1 | Benzeneethanamine, N-methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]-
CAS No: 115287-37-1 Catalog No: AG000GJN MDL No:MFCD08236712
Product Description
Catalog Number:
AG000GJN
Chemical Name:
Benzeneethanamine, N-methyl-4-nitro-N-[2-(4-nitrophenoxy)ethyl]-
CAS Number:
115287-37-1
Molecular Formula:
C17H19N3O5
Molecular Weight:
345.3499
MDL Number:
MFCD08236712
IUPAC Name:
N-methyl-N-[2-(4-nitrophenoxy)ethyl]-2-(4-nitrophenyl)ethanamine
InChI:
InChI=1S/C17H19N3O5/c1-18(11-10-14-2-4-15(5-3-14)19(21)22)12-13-25-17-8-6-16(7-9-17)20(23)24/h2-9H,10-13H2,1H3
InChI Key:
BDCVRCLAXLOSLH-UHFFFAOYSA-N
SMILES:
CN(CCc1ccc(cc1)[N+](=O)[O-])CCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.355g/mol
Monoisotopic Mass:
345.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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