2-Octylaniline

CAT: 1596-AR-A06574-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06574-01Size:10 Units

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CAS Number

37413-50-6

Molecular Formula

C14H23N

Molecular Weight

205.35

API Name

Aniline

Chemical Information

2-Octylaniline

CAS Number	37413-50-6
PubChem CID	14420599
IUPAC Name	2-octylaniline
Molecular Formula	C14H23N
Molecular Weight	205.34
XLogP	5
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	15
Formal Charge	0
Complexity	144

SMILES

CCCCCCCCC1=CC=CC=C1N

InChI

InChI=1S/C14H23N/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h8-9,11-12H,2-7,10,15H2,1H3

InChIKey

RUUWTSREEUTULQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37413-50-6

CID: 14420599

Formula: C14H23N

MW: 205.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	205.34
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	205.183049738
Monoisotopic Mass	205.183049738
Topological Polar Surface Area	26 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	144
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

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Catalog	Name
sc-308149	2-Isopropyl-N-octylaniline
PC1008362-01	2-Fluoro-3-octylaniline
PC1008361-01	2-Fluoro-4-octylaniline
OR1062173-01	3-Octylaniline
O01720	P-Octylaniline 99%
sc-226768	4-Octylaniline
OR73903	N-octylaniline
OR1028149-01	4-N-Octylaniline
sc-309418	3- (2-Ethoxyethoxy) -N-octylaniline
B26648	P-Butoxybenzylidene p-Octylaniline