Home Amines 101589-21-3
101589-21-3,MFCD09042084
Catalog No.:AA0004UK
101589-21-3 | 1-(3,4-Dimethoxyphenyl)propan-1-amine
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Technical Information
Catalog Number:
AA0004UK
Chemical Name:
1-(3,4-Dimethoxyphenyl)propan-1-amine
CAS Number:
101589-21-3
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD09042084
IUPAC Name:
1-(3,4-dimethoxyphenyl)propan-1-amine
InChI:
InChI=1S/C11H17NO2/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7,9H,4,12H2,1-3H3
InChI Key:
GOYNRRVQKKZYOW-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)OC)OC)N
Properties
Computed Properties
 
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Synonyms
 
1-(3,4-dimethoxyphenyl)propan-1-amine 
101589-21-3 
MFCD09042084 
STK873756 
AKOS000124074 
AKOS017258819 
MCULE-9873947716 
1-(3,4-dimethoxyphenyl)-1-propanamine 
AK668698 
AB0228882 
1-(3,4-dimethoxyphenyl)-1-propanamine x1HCl 
Benzenemethanamine, alpha-ethyl-3,4-dimethoxy- 
1-(3,4-dimethoxy-phenyl)-propylamine 
Y-4846 
Z228582782 
(R)-1-(3,4-Dimethoxyphenyl)propan-1-amine 
(S)-1-(3,4-Dimethoxyphenyl)propan-1-amine 
(1R)-1-(3,4-DIMETHOXYPHENYL)PROPAN-1-AMINE 
(1S)-1-(3,4-DIMETHOXYPHENYL)PROPAN-1-AMINE 
827004-73-9 
1213441-96-3 
Benzenemethanamine, a-ethyl-3,4-dimethoxy- 
ACMC-1C7QF 
SCHEMBL14032377 
CTK3J9998 
DTXSID60588051 
ALBB-027096 
BBL003786 
Literature
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