1-Butylpyrrolidine

CAT: 0127-OR1026845-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1026845-01Size:5 g

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CAS Number

767-10-2

Synonyms

1-butylpyrrolidine

Purity

98%

Smiles

CCCCN1CCCC1

Chemical Information

1-Butylpyrrolidine

CAS Number	767-10-2
PubChem CID	69843
IUPAC Name	1-butylpyrrolidine
Molecular Formula	C8H17N
Molecular Weight	127.23
XLogP	2
Topological Polar Surface Area	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	9
Formal Charge	0
Complexity	65

SMILES

CCCCN1CCCC1

InChI

InChI=1S/C8H17N/c1-2-3-6-9-7-4-5-8-9/h2-8H2,1H3

InChIKey

JSHASCFKOSDFHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 767-10-2

CID: 69843

Formula: C8H17N

MW: 127.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.23
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	127.136099547
Monoisotopic Mass	127.136099547
Topological Polar Surface Area	3.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	65
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
OR904755-01	2-Butylpyrrolidine
OR902826-01	2-sec-Butylpyrrolidine
OR904587-01	2-tert-Butylpyrrolidine hydrochloride
OR912073-01	N-butylpyrrolidinone
BUP12620-01	1,1,1,1-Kestohexaose
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
PC01657-01	1,1,1-Trifluorohexane
PC106393	1,1,1-Trifluorodecane
PC53034	1,1,1-Trifluoropentane

Catalog	Name
FB45924-01	1-Butylpyrrolidine
DAA47096-01	1-Butylpyrrolidine-2,5-dione
SAA65134-01	2-Butylpyrrolidine hydrochloride
YID13100-01	3-Butylpyrrolidine hydrochloride
NLC09189-01	1-tert-Butylpyrrolidine-2,4-dione
423947-01	3-Aminomethyl-1-sec-butylpyrrolidine Oxalate
IXA47878-01	2-tert-Butylpyrrolidine hydrochloride
JHD93627-01	1-Benzyl-3-tert-butylpyrrolidine-3-carbaldehyde
TLC12266-01	2-Benzyl-2-tert-butylpyrrolidine
NMB76412-01	N-tert-Butylpyrrolidine-2-carboxamide