2-Isopentylpyrazine

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CAS Number

40790-22-5

MDL Number

MFCD00014613

Purity

97%

Smiles

CC(C)CCC1=NC=CN=C1

Chemical Information

2-(3-Methylbutyl)pyrazine

CAS Number	40790-22-5
PubChem CID	521012
IUPAC Name	2-(3-methylbutyl)pyrazine
Molecular Formula	C9H14N2
Molecular Weight	150.22
XLogP	1.8
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	102

SMILES

CC(C)CCC1=NC=CN=C1

InChI

InChI=1S/C9H14N2/c1-8(2)3-4-9-7-10-5-6-11-9/h5-8H,3-4H2,1-2H3

InChIKey

ILKAUWPPPOYQHF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40790-22-5

CID: 521012

Formula: C9H14N2

MW: 150.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.22
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	150.115698455
Monoisotopic Mass	150.115698455
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	102
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR360329	1-Isopentylpyrazole-4-boronic acid
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
PC1016533-01	2- (2,2,2-trifluoroacetyl) benzaldehyde
PC1004953-01	2- (2,2,2-Trifluoroethyl) thiophene
PC1002721-01	2,2,2-Trifluoroethyl 2-bromoacetate
PC501722-01	2,2,2,2',4'-Pentafluoroacetophenone
PC500830	2- (2,2,2-Trifluoroethoxy) benzonitrile
PC49356-01	2,2,2,2',6'-Pentafluoroacetophenone

Catalog	Name
QBA79022-01	2-Isopentylpyrazine
H 038-005	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
TRC-T790200-50MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate
MBS6106553-01	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
D443501	Diethyl-2,2,2,2',2',2'-d6-amine HCl
TRC-T790195-25G	2-[2-(2,2,2-Trifluoroethoxy)phenoxy]-ethanol
sc-474673	2-[2- (2,2,2-Trifluoroethoxy) phenoxy]-ethanol
MBS6066612-01	2,2,2',2'-Tetramethoxyethyl Disulfide
TRC-T795583-50MG	2-(2,2,2-Trifluoroethoxy)ethanol
JH164394	2- (2,2,2-Trifluoroethoxy) phenol