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N-Butylaniline

CAT: 0024-sc-215445Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-215445Size:25 g
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CAS Number
1126-78-9

Chemical Information

N-Butylaniline

N-butylaniline appears as an amber colored liquid. Slightly denser than water and insoluble in water. May be toxic by skin absorption and ingestion. Severely irritates skin and eyes. Used to make dyes.

CAS Number1126-78-9
PubChem CID14310
IUPAC NameN-butylaniline
Molecular FormulaC10H15N
Molecular Weight149.23
XLogP2.8
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count11
Formal Charge0
Complexity84
SMILES
CCCCNC1=CC=CC=C1
InChI
InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKey
VSHTWPWTCXQLQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Butylaniline
CAS: 1126-78-9
CID: 14310
Formula: C10H15N
MW: 149.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight149.23
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass149.120449483
Monoisotopic Mass149.120449483
Topological Polar Surface Area12 Ų
Heavy Atom Count11
Formal Charge0
Complexity84.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes