4-Benzylaniline

CAT: 0024-sc-223626Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-223626Size:1 g

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CAS Number

1135-12-2

Chemical Information

Benzenamine, 4-(phenylmethyl)-

CAS Number	1135-12-2
PubChem CID	136914
IUPAC Name	4-benzylaniline
Molecular Formula	C13H13N
Molecular Weight	183.25
XLogP	3.2
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	153

SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)N

InChI

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

InChIKey

WDTRNCFZFQIWLM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1135-12-2

CID: 136914

Formula: C13H13N

MW: 183.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.25
XLogP3	3.2
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	153
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-280349	3-Benzylaniline
sc-231481	3-Benzylaniline
sc-237920	2-Benzylaniline
sc-280349A	3-Benzylaniline
sc-235999	N-Benzylaniline
sc-358425	N-Ethyl-N-benzylaniline-3'-sulfonic acid
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile
sc-284451A	4,4,4-Trifluorobutylamine

Catalog	Name
TRC-B230005-1G	4-Benzylaniline
OR1011438-01	4-Benzylaniline Hydrochloride
261591-01	2-Benzylaniline
FB00202	N-Benzylaniline
424011-01	3-Benzylaniline
OR9849-01	3-Benzylaniline
HY-W016321S	N-Benzylaniline-d2
HY-49382-01	Fluocinolone acetonide 3-benzylaniline
591805	N-Ethyl-N-benzylaniline
TRC-E937576-500MG	N-Ethyl-N-benzylaniline-3'-sulfonic Acid Monohydrate