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Diisobutylamine

CAT: 0572-TRC-D446538-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D446538-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
110-96-3
Hazard Statement
No Data Available
Smiles
CC(C)CNCC(C)C
Molecular Formula
C8 H19 N
Molecular Weight
129.24
InChI
InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
Additionnal Information
IUPAC name: 2-methyl-N-(2-methylpropyl)propan-1-amine
Shipping Conditions
Room Temperature

Chemical Information

Diisobutylamine

Diisobutylamine appears as a clear colorless liquid with an ammonia-like odor. Insoluble in water and less dense than water. Hence floats on water. Vapors heavier than air. Toxic oxides of nitrogen produced during combustion.

CAS Number110-96-3
PubChem CID8085
IUPAC Name2-methyl-N-(2-methylpropyl)propan-1-amine
Molecular FormulaC8H19N
Molecular Weight129.24
XLogP2.5
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity49
SMILES
CC(C)CNCC(C)C
InChI
InChI=1S/C8H19N/c1-7(2)5-9-6-8(3)4/h7-9H,5-6H2,1-4H3
InChIKey
NJBCRXCAPCODGX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diisobutylamine
CAS: 110-96-3
CID: 8085
Formula: C8H19N
MW: 129.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.24
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass129.151749610
Monoisotopic Mass129.151749610
Topological Polar Surface Area12 Ų
Heavy Atom Count9
Formal Charge0
Complexity49.6
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

Alternative Products

CatalogName
RG-A262707-01Diisobutylamine
OR920752-01Diisobutylamine hydrochloride
HY-144524SNitroso diisobutylamine-d4
AR-N08193-01N-Nitroso Diisobutylamine-d4

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