3-Heptylpyrrole

CAT: 0024-sc-485262Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-485262Size:1 g

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CAS Number

878-11-5

Chemical Information

3-Heptylpyrrole

CAS Number	878-11-5
PubChem CID	258374
IUPAC Name	3-heptyl-1H-pyrrole
Molecular Formula	C11H19N
Molecular Weight	165.27
XLogP	4.2
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	101

SMILES

CCCCCCCC1=CNC=C1

InChI

InChI=1S/C11H19N/c1-2-3-4-5-6-7-11-8-9-12-10-11/h8-10,12H,2-7H2,1H3

InChIKey

OVBAZQHUSHSARW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 878-11-5

CID: 258374

Formula: C11H19N

MW: 165.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	165.27
XLogP3	4.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	6
Exact Mass	165.151749610
Monoisotopic Mass	165.151749610
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	101
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-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-261128A	3,3,3-Trifluoropropionaldehyde
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
sc-261128	3,3,3-Trifluoropropionaldehyde
sc-261132	3,3,3-Trifluoropropylamine
sc-347308A	3,3,3-trifluoropropanehydrazide
sc-347307	3,3,3-trifluoropropanamide
sc-347308	3,3,3-trifluoropropanehydrazide
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane

Catalog	Name
OR1079125-01	3-Heptylpyrrole
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
QPA42834	3,3,3-Trifluoropropanethioamide
426796-01	3,3,3-Trifluoroalanine
OR1060769-01	3,3',3''-Phosphanetriyltriphenol
PC4553-01	3,3,3-Trifluoropropanenitrile
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide