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N-Methyl-Butylamine

CAT: 1596-AR-D07138-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07138-01Size:10 Units
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CAS Number
110-68-9
Molecular Formula
C5H13N
Molecular Weight
87.17
API Name
Dimethylbutylamine

Chemical Information

N-Methylbutylamine

N-methylbutylamine is a secondary aliphatic amine having methyl and n-butyl as the two alkyl groups.

CAS Number110-68-9
PubChem CID8068
IUPAC NameN-methylbutan-1-amine
Molecular FormulaC5H13N
Molecular Weight87.16
XLogP1.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count6
Formal Charge0
Complexity19
SMILES
CCCCNC
InChI
InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3
InChIKey
QCOGKXLOEWLIDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Methylbutylamine
CAS: 110-68-9
CID: 8068
Formula: C5H13N
MW: 87.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight87.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass87.104799419
Monoisotopic Mass87.104799419
Topological Polar Surface Area12 Ų
Heavy Atom Count6
Formal Charge0
Complexity19.9
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