3-Ethylaniline

CAT: 1596-AR-A06588-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06588-03Size:50 Units

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CAS Number

587-02-0

Molecular Formula

C8H11N

Molecular Weight

121.18

API Name

Aniline

Chemical Information

3-Ethylaniline

structure in first source

CAS Number	587-02-0
PubChem CID	11475
IUPAC Name	3-ethylaniline
Molecular Formula	C8H11N
Molecular Weight	121.18
XLogP	2.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	80

SMILES

CCC1=CC(=CC=C1)N

InChI

InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3

InChIKey

AMKPQMFZCBTTAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 587-02-0

CID: 11475

Formula: C8H11N

MW: 121.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.18
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	121.089149355
Monoisotopic Mass	121.089149355
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	80.6
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
AR-A06586-01	3-Chloro-4-ethylaniline
AR-E02326-01	2-Ethylaniline
AR-A06626-01	N-Nitroso-N-Ethylaniline
AR-E01718-01	Erlotinib Impurity (3-Ethynylaniline)
AR-E01759-01	2-ethynylaniline
AR-E01760-01	4-ethynylaniline
AR-N01286-01	3- (3,3-dimethylureido) phenyldimethylcarbamate
AR-A06595-01	3,3'-Tolidine
AR-G01656-01	3',3'-cGAMP
AR-G02821-01	3',3'-cGAMP