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3,3'-Iminodipropionitrile

CAT: 0024-sc-226206Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-226206Size:100 mL
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CAS Number
111-94-4

Chemical Information

3,3'-Iminodipropionitrile

IDPN is used in medical research (neurotoxin) and as a chemical intermediate; [HSDB].

CAS Number111-94-4
PubChem CID8149
IUPAC Name3-(2-cyanoethylamino)propanenitrile
Molecular FormulaC6H9N3
Molecular Weight123.16
XLogP-0.8
Topological Polar Surface Area59.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity126
SMILES
C(CNCCC#N)C#N
InChI
InChI=1S/C6H9N3/c7-3-1-5-9-6-2-4-8/h9H,1-2,5-6H2
InChIKey
SBAJRGRUGUQKAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3'-Iminodipropionitrile
CAS: 111-94-4
CID: 8149
Formula: C6H9N3
MW: 123.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.16
XLogP3-0.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass123.079647300
Monoisotopic Mass123.079647300
Topological Polar Surface Area59.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity126
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

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CatalogName
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Alternative Products

CatalogName
426854-013,3'-Iminodipropionitrile
I00455-013,3'-Iminodipropionitrile 98%
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
QMC01729-013- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-013- (3,3,3-Trifluoropropyl) aniline
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine
PC7820FJ-013- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456L3',3',3'-cAAG
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PC4452-013,3,3-Trifluoropropylmethyldimethoxysilane

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