4-Isobutyl-pyridine

CAT: 0024-sc-284268Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-284268Size:1 g

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CAS Number

4810-79-1

Chemical Information

4-Isobutylpyridine

CAS Number	4810-79-1
PubChem CID	78532
IUPAC Name	4-(2-methylpropyl)pyridine
Molecular Formula	C9H13N
Molecular Weight	135.21
XLogP	2.4
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	82

SMILES

CC(C)CC1=CC=NC=C1

InChI

InChI=1S/C9H13N/c1-8(2)7-9-3-5-10-6-4-9/h3-6,8H,7H2,1-2H3

InChIKey

WACPXLKEEAMYCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4810-79-1

CID: 78532

Formula: C9H13N

MW: 135.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.21
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	135.104799419
Monoisotopic Mass	135.104799419
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	82.7
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
sc-487705	2-Isobutyl-4-methylthiazole
sc-331326	N-Isobutyl-4-isothiocyanatobenzenesulfonamide
sc-356348A	2-[ (4-Isobutyl) phenyl]proprionitrile
sc-391880	4'-Isobutyl-2,2-dibromopropiophenone
sc-303534	1-Isobutyl-1,4-diazepane
sc-262025	4-Isobutyl-3-nitrobenzeneboronic acid
sc-297477	1- (4-Isobutyl-benzenesulfonyl) -piperazine
sc-356348	2-[ (4-Isobutyl) phenyl]proprionitrile
sc-274903	2-Isobutyl-4,5-dimethylthiazole
sc-353633	Isobutyl 3,5-dinitro-4-chlorobenzoate

Catalog	Name
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FI71333-01	Isobutyl 4-aminobenzoate
OR1057266-01	Isobutyl 4-oxopentanoate
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OR1010138-01	2,6-Bis ((S) -4-Isobutyl-4,5-Dihydrooxazol-2-yl) Pyridine
OR1010134-01	2,6-Bis ((R) -4-Isobutyl-4,5-Dihydrooxazol-2-Yl) Pyridine
TRC-D290420-250MG	4-Desisopropyl-4-isobutyl Imazethapyr
II24661-01	4-Isobutyl-2-pyrrolidinone