Home Other Building Blocks 3-(1-phenylethoxy)propan-1-amine

3-(1-phenylethoxy)propan-1-amine

CAS No.:
867329-97-3
Catalog Number:
AG019OLE
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
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Product Description
Catalog Number:
AG019OLE
Chemical Name:
3-(1-phenylethoxy)propan-1-amine
CAS Number:
867329-97-3
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
3-(1-phenylethoxy)propan-1-amine
InChI:
InChI=1S/C11H17NO/c1-10(13-9-5-8-12)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9,12H2,1H3
InChI Key:
FTIIDZXBKULXCC-UHFFFAOYSA-N
SMILES:
NCCCOC(c1ccccc1)C
Properties
Complexity:
121  
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:
5  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties