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Isobutylamine Hydrobromide

CAT: 0127-OR1029512-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1029512-01Size:250 mg
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CAS Number
74098-36-5
Synonyms
2-methylpropan-1-amine; hydrobromide
Purity
98%
Smiles
CC(C)CN.Br

Chemical Information

Isobutylamine Hydrobromide
CAS Number74098-36-5
PubChem CID85987475
IUPAC Name2-methylpropan-1-amine;hydrobromide
Molecular FormulaC4H12BrN
Molecular Weight154.05
Topological Polar Surface Area26
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count6
Formal Charge0
Complexity17
SMILES
CC(C)CN.Br
InChI
InChI=1S/C4H11N.BrH/c1-4(2)3-5;/h4H,3,5H2,1-2H3;1H
InChIKey
RFYSBVUZWGEPBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutylamine Hydrobromide
CAS: 74098-36-5
CID: 85987475
Formula: C4H12BrN
MW: 154.05
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight154.05
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass153.01531
Monoisotopic Mass153.01531
Topological Polar Surface Area26 Ų
Heavy Atom Count6
Formal Charge0
Complexity17.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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