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120-20-7 | Benzeneethanamine, 3,4-dimethoxy-
CAS No: 120-20-7 Catalog No: AG000Q05 MDL No:MFCD00008188
Product Description
Catalog Number:
AG000Q05
Chemical Name:
Benzeneethanamine, 3,4-dimethoxy-
CAS Number:
120-20-7
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD00008188
IUPAC Name:
2-(3,4-dimethoxyphenyl)ethanamine
InChI:
InChI=1S/C10H15NO2/c1-12-9-4-3-8(5-6-11)7-10(9)13-2/h3-4,7H,5-6,11H2,1-2H3
InChI Key:
ANOUKFYBOAKOIR-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)OC)OC
EC Number:
204-376-9
UNII:
IQF9T435OP
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.11g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
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| Morbidity involving the hallucinogenic designer amines MDA and 2C-I. | Journal of forensic sciences 20091101 |
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| Inhibition of brain mitochondrial respiration by dopamine and its metabolites: implications for Parkinson's disease and catecholamine-associated diseases. | Journal of neurochemistry 20041101 |
| 4-Bromo-2,5-dimethoxyphenethylamine (2C-B) and structurally related phenylethylamines are potent 5-HT2A receptor antagonists in Xenopus laevis oocytes. | British journal of pharmacology 20040401 |
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