Home Other Building Blocks 3-(4-methoxyphenyl)butan-1-amine

3-(4-methoxyphenyl)butan-1-amine

CAS No.:
86945-21-3
Catalog Number:
AG01AKXL
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
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Product Description
Catalog Number:
AG01AKXL
Chemical Name:
3-(4-methoxyphenyl)butan-1-amine
CAS Number:
86945-21-3
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD09890035
IUPAC Name:
3-(4-methoxyphenyl)butan-1-amine
InChI:
InChI=1S/C11H17NO/c1-9(7-8-12)10-3-5-11(13-2)6-4-10/h3-6,9H,7-8,12H2,1-2H3
InChI Key:
IOKHUXZEUPMVDC-UHFFFAOYSA-N
SMILES:
NCCC(c1ccc(cc1)OC)C
Properties
Complexity:
130  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties