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130286-67-8 | Benzenemethanamine, N-ethyl-N-(4-nitrosophenyl)-, hydrochloride (1:1)
CAS No: 130286-67-8 Catalog No: AG000U7Z MDL No:
Product Description
Catalog Number:
AG000U7Z
Chemical Name:
Benzenemethanamine, N-ethyl-N-(4-nitrosophenyl)-, hydrochloride (1:1)
CAS Number:
130286-67-8
Molecular Formula:
C15H17ClN2O
Molecular Weight:
276.7613
IUPAC Name:
N-benzyl-N-ethyl-4-nitrosoaniline
InChI:
InChI=1S/C15H16N2O/c1-2-17(12-13-6-4-3-5-7-13)15-10-8-14(16-18)9-11-15/h3-11H,2,12H2,1H3
InChI Key:
CMGGWRMSLJLLCZ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)N=O)Cc1ccccc1.Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.306g/mol
Monoisotopic Mass:
240.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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