3-Butylpyridine

CAT: 0127-OR937482-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR937482-01Size:100 mg

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CAS Number

539-32-2

MDL Number

MFCD00010709

Purity

98%

Smiles

CCCCc1cccnc1

Chemical Information

3-Butylpyridine

3-Butylpyridine is a member of pyridines.

CAS Number	539-32-2
PubChem CID	10874
IUPAC Name	3-butylpyridine
Molecular Formula	C9H13N
Molecular Weight	135.21
XLogP	2.5
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	80

SMILES

CCCCC1=CN=CC=C1

InChI

InChI=1S/C9H13N/c1-2-3-5-9-6-4-7-10-8-9/h4,6-8H,2-3,5H2,1H3

InChIKey

QSNMFWFDOFQASV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 539-32-2

CID: 10874

Formula: C9H13N

MW: 135.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	135.21
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	135.104799419
Monoisotopic Mass	135.104799419
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	80.8
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
OR933401	4-Butylpyridine
OR924555-01	4-tert-Butylpyridine
OR1046893-01	4-tert-Butylpyridine-3-carboxylic acid hydrochloride
OR346558-01	4-tert-Butylpyridine 1-oxide
OR76786-01	4-tert-Butylpyridine-2-carbonitrile
PC110383-01	2,6-Di-tert-butylpyridine hexafluorophosphate
OR1023606-01	2,4,6-Tri-Tert-Butylpyridine
PC1001008	2,6-Di-tert-butylpyridine tetrafluoroborate
OR1046644-01	5-Amino-N-butylpyridine-2-carboxamide
OR11686	5-Bromo-N-butylpyridine-2-carboxamide

Catalog	Name
FB167461-01	3-Butylpyridine
GTR19260853-01	4-Butylpyridine
GGA86146-01	4-tert-Butylpyridine-3-carbonitrile
QDA73198-01	3-Bromo-4-tert-butylpyridine
IUB72546-01	5-tert-Butylpyridine-3-carbaldehyde
SAA43206-01	N-tert-Butylpyridine-3-sulfonamide
RQA90069-01	6-tert-Butylpyridine-3-carbaldehyde
LYB51846-01	3-tert-Butylpyridine-2-carbonitrile
T6340-01	4-TERT-BUTYLPYRIDINE
SAC91171-01	5-Amino-N-butylpyridine-3-sulfonamide