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101825-11-0

101825-11-0 | Benzenemethanamine, 3,4-dimethoxy-N-(1-methylethyl)-

CAS No: 101825-11-0 Catalog No: AG0005NP MDL No:MFCD01817805

Product Description

Catalog Number:
AG0005NP
Chemical Name:
Benzenemethanamine, 3,4-dimethoxy-N-(1-methylethyl)-
CAS Number:
101825-11-0
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD01817805
IUPAC Name:
N-[(3,4-dimethoxyphenyl)methyl]propan-2-amine
InChI:
InChI=1S/C12H19NO2/c1-9(2)13-8-10-5-6-11(14-3)12(7-10)15-4/h5-7,9,13H,8H2,1-4H3
InChI Key:
KVCXOWMROZVRQZ-UHFFFAOYSA-N
SMILES:
COc1cc(CNC(C)C)ccc1OC

Properties

Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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