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N-Butylaniline

CAS No.:
1126-78-9
Catalog Number:
AG0035DA
Molecular Formula:
C10H15N
Molecular Weight:
149.2328
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
99%
In Stock USA
United States
$153
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Product Description
Catalog Number:
AG0035DA
Chemical Name:
N-Butylaniline
CAS Number:
1126-78-9
Molecular Formula:
C10H15N
Molecular Weight:
149.2328
MDL Number:
MFCD00035798
IUPAC Name:
N-butylaniline
InChI:
InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChI Key:
VSHTWPWTCXQLQN-UHFFFAOYSA-N
SMILES:
CCCCNc1ccccc1
EC Number:
214-425-6
UNII:
R2ZNJ7L2UM
NSC Number:
7114
UN Number:
2738
Properties
Complexity:
84.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.12g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.237g/mol
Monoisotopic Mass:
149.12g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Recognition and resolution of isomeric alkyl anilines by mass spectrometry. Journal of the American Society for Mass Spectrometry 20090201
New chemical constituents of Euphorbia quinquecostata and absolute configuration assignment by a convenient Mosher ester procedure carried out in NMR tubes. Journal of natural products 20020901
Properties