3-Benzylpyridine

CAT: 0024-sc-487397Size: 10 gDry Ice: NoHazardous: No

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CAT#:0024-sc-487397Size:10 g

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CAS Number

620-95-1

Chemical Information

3-Benzylpyridine

3-benzylpyridine has been reported in Mentha arvensis with data available.

CAS Number	620-95-1
PubChem CID	12112
IUPAC Name	3-benzylpyridine
Molecular Formula	C12H11N
Molecular Weight	169.22
XLogP	2.8
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	138

SMILES

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

InChI

InChI=1S/C12H11N/c1-2-5-11(6-3-1)9-12-7-4-8-13-10-12/h1-8,10H,9H2

InChIKey

UUCLVSDUMKMBSM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 620-95-1

CID: 12112

Formula: C12H11N

MW: 169.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.22
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	169.089149355
Monoisotopic Mass	169.089149355
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	138
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-229966	2-Benzylpyridine
sc-229966A	2-Benzylpyridine
sc-226500	4-Benzylpyridine
sc-231479	3-Benzoylpyridine
sc-209250	2-Pivaloylamino-3-benzoylpyridine
sc-209009	2-Amino-3-benzoylpyridine
sc-256457	3-Benzoylpyridine-2-carboxylic acid
sc-237918	2-Benzoylpyridine
sc-273245	1-benzylpyridin-2 (1H) -imine hydrochloride
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane

Catalog	Name
OR8904-01	3-Benzylpyridine
001969	2-Amino-3-benzylpyridine
PDK0004	2-Benzylpyridine
OR8759	4-Benzylpyridine
DLB48283-01	N-Benzylpyridine-3-sulfonamide
OR1064303-01	N3-Benzylpyridine-2,3-diamine
OR1046118-01	N3-Benzylpyridine-3,4-diamine
B09430-01	2-Benzylpyridine 99%
GAA32063	N-Benzylpyridine-4-carboxamide
FDD54786-01	5-Benzylpyridine-2-carboxylic acid hydrochloride