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Diallylamine

CAT: 1299-RG-D090109-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-D090109-04Size:100 mg
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CAS Number
124-02-7
Synonyms
Diallylamine
Molecular Formula
C6H11N
Molecular Weight
97.16
Product Name Synonym
Diallylamine

Chemical Information

Diallylamine

Diallylamine appears as a liquid with a disagreeable odor. Less dense than water. May be toxic by inhalation and skin absorption. Irritates skin and eyes. Used to make other chemicals.

CAS Number124-02-7
PubChem CID31279
IUPAC NameN-prop-2-enylprop-2-en-1-amine
Molecular FormulaC6H11N
Molecular Weight97.16
XLogP1.1
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity49
SMILES
C=CCNCC=C
InChI
InChI=1S/C6H11N/c1-3-5-7-6-4-2/h3-4,7H,1-2,5-6H2
InChIKey
DYUWTXWIYMHBQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diallylamine
CAS: 124-02-7
CID: 31279
Formula: C6H11N
MW: 97.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight97.16
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass97.089149355
Monoisotopic Mass97.089149355
Topological Polar Surface Area12 Ų
Heavy Atom Count7
Formal Charge0
Complexity49.2
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
sc-234549Diallylamine
sc-486543Diallylamine Hydrochloride
45953-01Diallylamine extrapure, 99%

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