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1-(2,4-dimethoxy-3-methylphenyl)methanamine

1-(2,4-dimethoxy-3-methylphenyl)methanamine

CAS: 887582-01-6

Formula: C10H15NO2

SMILES: COC1=C(C)C(OC)=C(CN)C=C1

IUPAC: 1-(2,4-dimethoxy-3-methylphenyl)methanamine

InChI: InChI=1S/C10H15NO2/c1-7-9(12-2)5-4-8(6-11)10(7)13-3/h4-5H,6,11H2,1-3H3

Composition: C (66.27%), H (8.34%), N (7.73%), O (17.66%)

Molar Mass: 181.235

Atom Count: 28

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.110278727
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OPQZRWOPFHFMPU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.5
Topological Polar Surface Area 44.48
Polarizability 20.49
Ring Count 1
Rotatable Bond Count 3

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95% <5 Days 887582-01-6 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
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