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100570-24-9 | Benzenemethanamine, 3,4-dimethoxy-α-methyl-, (αR)-
CAS No: 100570-24-9 Catalog No: AG0002D6 MDL No:MFCD06761897
Product Description
Catalog Number:
AG0002D6
Chemical Name:
Benzenemethanamine, 3,4-dimethoxy-α-methyl-, (αR)-
CAS Number:
100570-24-9
Molecular Formula:
C10H15NO2
Molecular Weight:
181.2316
MDL Number:
MFCD06761897
IUPAC Name:
(1R)-1-(3,4-dimethoxyphenyl)ethanamine
InChI:
InChI=1S/C10H15NO2/c1-7(11)8-4-5-9(12-2)10(6-8)13-3/h4-7H,11H2,1-3H3/t7-/m1/s1
InChI Key:
OEPFPKVWOOSTBV-SSDOTTSWSA-N
SMILES:
COc1cc(ccc1OC)[C@H](N)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:
1
Isotope Atom Count:
0
Molecular Weight:
181.235g/mol
Monoisotopic Mass:
181.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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