1-Ethylisoindoline

CAT: 0127-OR1047215-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1047215-02Size:250 mg

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CAS Number

90132-78-8

MDL Number

MFCD19221175

Purity

95%

Smiles

CCC1NCC2=C1C=CC=C2

Chemical Information

1-Ethylisoindoline

CAS Number	90132-78-8
PubChem CID	18663379
IUPAC Name	1-ethyl-2,3-dihydro-1H-isoindole
Molecular Formula	C10H13N
Molecular Weight	147.22
XLogP	1.8
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	133

SMILES

CCC1C2=CC=CC=C2CN1

InChI

InChI=1S/C10H13N/c1-2-10-9-6-4-3-5-8(9)7-11-10/h3-6,10-11H,2,7H2,1H3

InChIKey

CNFRAFYIBYMKHI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90132-78-8

CID: 18663379

Formula: C10H13N

MW: 147.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.22
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	147.104799419
Monoisotopic Mass	147.104799419
Topological Polar Surface Area	12 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1010446-01	2-Ethylisoindoline-1,3-Dione
OR77177-01	2- (2,6-Dioxopiperidin-3-yl) -5-ethynylisoindoline-1,3-dione
BUP12620-01	1,1,1,1-Kestohexaose
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane
PC106393	1,1,1-Trifluorodecane
PC53034	1,1,1-Trifluoropentane
PC7180-01	1,1,1-Trifluoroacetone

Catalog	Name
297272-01	1,1,1,1,1-Kestoheptaose
T5790-01	1,1,1,1-Kestohexaose
MBS5752139	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
410416-01	1,1,1-Trichlorododcane
158582	1,1,1-Trimethoxybutane
AAA91800	1,1,1-Trichloroacetone