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146269-95-6 | Benzeneethanamine, 2,5-dimethoxy-α-methyl-3-nitro-
CAS No: 146269-95-6 Catalog No: AG001DTZ MDL No:
Product Description
Catalog Number:
AG001DTZ
Chemical Name:
Benzeneethanamine, 2,5-dimethoxy-α-methyl-3-nitro-
CAS Number:
146269-95-6
Molecular Formula:
C11H16N2O4
Molecular Weight:
240.2557
IUPAC Name:
1-(2,5-dimethoxy-3-nitrophenyl)propan-2-amine
InChI:
InChI=1S/C11H16N2O4/c1-7(12)4-8-5-9(16-2)6-10(13(14)15)11(8)17-3/h5-7H,4,12H2,1-3H3
InChI Key:
CSBUNGFAXBEWLO-UHFFFAOYSA-N
SMILES:
COc1cc(CC(N)C)c(c(c1)[N+](=O)[O-])OC
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.259g/mol
Monoisotopic Mass:
240.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Functional selectivity of hallucinogenic phenethylamine and phenylisopropylamine derivatives at human 5-hydroxytryptamine (5-HT)2A and 5-HT2C receptors. | The Journal of pharmacology and experimental therapeutics 20070601 |
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