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20521-19-1 | 1,2-Benzenediol, 4-[(2R)-2-(methylamino)propyl]-
CAS No: 20521-19-1 Catalog No: AG0029YO MDL No:
Product Description
Catalog Number:
AG0029YO
Chemical Name:
1,2-Benzenediol, 4-[(2R)-2-(methylamino)propyl]-
CAS Number:
20521-19-1
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
IUPAC Name:
4-[(2R)-2-(methylamino)propyl]benzene-1,2-diol
InChI:
InChI=1S/C10H15NO2/c1-7(11-2)5-8-3-4-9(12)10(13)6-8/h3-4,6-7,11-13H,5H2,1-2H3/t7-/m1/s1
InChI Key:
NTCPGTZTPGFNOM-SSDOTTSWSA-N
SMILES:
CN[C@@H](Cc1ccc(c(c1)O)O)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
3
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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| 3,4-Dihydroxymethamphetamine (HHMA). A major in vivo 3,4-methylenedioxymethamphetamine (MDMA) metabolite in humans. | Chemical research in toxicology 20010901 |
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