Home Other Building Blocks 3-(4-methoxyphenyl)butan-2-amine

3-(4-methoxyphenyl)butan-2-amine

CAS No.:
21894-69-9
Catalog Number:
AG019TFR
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
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Product Description
Catalog Number:
AG019TFR
Chemical Name:
3-(4-methoxyphenyl)butan-2-amine
CAS Number:
21894-69-9
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD20711808
IUPAC Name:
3-(4-methoxyphenyl)butan-2-amine
InChI:
InChI=1S/C11H17NO/c1-8(9(2)12)10-4-6-11(13-3)7-5-10/h4-9H,12H2,1-3H3
InChI Key:
YRVZJUUUXSMVNS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(C(N)C)C
Properties
Complexity:
141  
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:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties