2-Benzylaniline

CAT: 0127-OR902312-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR902312-01Size:25 g

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CAS Number

28059-64-5

MDL Number

MFCD00007750

Purity

98%

Smiles

Nc1ccccc1Cc2ccccc2

Chemical Information

2-Benzylaniline

CAS Number	28059-64-5
PubChem CID	119805
IUPAC Name	2-benzylaniline
Molecular Formula	C13H13N
Molecular Weight	183.25
XLogP	2.9
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	161

SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2N

InChI

InChI=1S/C13H13N/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10,14H2

InChIKey

DWOBGCPUQNFAFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28059-64-5

CID: 119805

Formula: C13H13N

MW: 183.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.25
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	183.104799419
Monoisotopic Mass	183.104799419
Topological Polar Surface Area	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	161
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
OR7498-01	4-Benzylaniline
OR9849-01	3-Benzylaniline
OR1011438-01	4-Benzylaniline Hydrochloride
PC110200	Fluocinolone acetonide 3-benzylaniline
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC100568-01	2,2,2-Trifluoroethyl 2-cyanoacetate
PC50050-01	2'-Amino-2,2,2-trifluoroacetophenone

Catalog	Name
261591-01	2-Benzylaniline
sc-280349	3-Benzylaniline
TRC-B230005-1G	4-Benzylaniline
sc-235999	N-Benzylaniline
424011-01	3-Benzylaniline
HY-W016321S	N-Benzylaniline-d2
HY-49382-01	Fluocinolone acetonide 3-benzylaniline
591805	N-Ethyl-N-benzylaniline