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3-Piperidinepropanenitrile

CAT: 0572-TRC-P480015-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P480015-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
857361-79-6
Hazard Statement
No Data Available
Smiles
N#CCCC1CCCNC1
Molecular Formula
C8 H14 N2
Molecular Weight
138.21
InChI
InChI=1S/C8H14N2/c9-5-1-3-8-4-2-6-10-7-8/h8,10H,1-4,6-7H2
Additionnal Information
IUPAC name: 3-piperidin-3-ylpropanenitrile
Shipping Conditions
Room Temperature

Chemical Information

3-(Piperidin-3-YL)propanenitrile
CAS Number857361-79-6
PubChem CID13971217
IUPAC Name3-piperidin-3-ylpropanenitrile
Molecular FormulaC8H14N2
Molecular Weight138.21
XLogP0.6
Topological Polar Surface Area35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity133
SMILES
C1CC(CNC1)CCC#N
InChI
InChI=1S/C8H14N2/c9-5-1-3-8-4-2-6-10-7-8/h8,10H,1-4,6-7H2
InChIKey
MXTGVAUYVDCPRS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Piperidin-3-YL)propanenitrile
CAS: 857361-79-6
CID: 13971217
Formula: C8H14N2
MW: 138.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.21
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.115698455
Monoisotopic Mass138.115698455
Topological Polar Surface Area35.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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TRC-D454135-500MG(alphaE)-alpha-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-beta-oxo-1-piperidinepropanenitrile
TRC-M272395-250MG4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile
TRC-A593950-25MG(3R,4R)-3-[(6-Amino-4-pyrimidinyl)methylamino]-4-methyl-Beta-oxo-1-piperidinepropanenitrile
TRC-A593950-500MG(3R,4R)-3-[(6-Amino-4-pyrimidinyl)methylamino]-4-methyl-b-oxo-1-piperidinepropanenitrile
TRC-A593950-10MG(3R,4R)-3-[(6-Amino-4-pyrimidinyl)methylamino]-4-methyl-Beta-oxo-1-piperidinepropanenitrile
TRC-T789890-500MG3,3,3-Trifluoroalanine
TRC-T789890-1G3,3,3-Trifluoroalanine
TRC-T789890-100MG3,3,3-Trifluoroalanine

Alternative Products

CatalogName
426619-013-Piperidinepropanenitrile
427953-01(3R,4R) -4-Methyl-3- (methylamino) -β-oxo-1-piperidinepropanenitrile
469534-01(αE) -α-[ (3,4-Dihydroxy-5-nitrophenyl) methylene]-β-oxo-1-piperidinepropanenitrile
469535-01(αE) -α-[ (3,4-Dihydroxy-5-nitrophenyl) methylene]-β-oxo-1-piperidinepropanenitrile-d10
427943-01(3R,4R) -3-[ (6-Amino-4-pyrimidinyl) methylamino]-4-methyl-β-oxo-1-piperidinepropanenitrile
MBS655389-01CP-690550, Free Base ((3R,4R)-4-Methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-beta-oxo-1-piperidinepropanenitrile, Tasocitinib)
PC68253,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PDC53711-013- (3,3,3-Trifluoropropoxy) piperidine
sc-260433A3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
NU-456L3',3',3'-cAAG

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