2- (2-Methylpropyl) benzonitrile

CAT: 0926-NAA67097-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-NAA67097-01Size:50 mg

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CAS Number

13670-97-8

MDL Number

MFCD30476058

Smiles

CC (C) CC1=CC=CC=C1C#N

Molecular Formula

C11H13N

Molecular Weight

159.23 g/mol

Controlled

Chemical Information

2-(2-Methylpropyl)benzonitrile

CAS Number	13670-97-8
PubChem CID	15357542
IUPAC Name	2-(2-methylpropyl)benzonitrile
Molecular Formula	C11H13N
Molecular Weight	159.23
XLogP	3.4
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	175

SMILES

CC(C)CC1=CC=CC=C1C#N

InChI

InChI=1S/C11H13N/c1-9(2)7-10-5-3-4-6-11(10)8-12/h3-6,9H,7H2,1-2H3

InChIKey

ZEQDWUSZTQOXGL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13670-97-8

CID: 15357542

Formula: C11H13N

MW: 159.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.23
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	159.104799419
Monoisotopic Mass	159.104799419
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
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
AJB57033-01	4-[ (2-Methylpropyl) amino]benzonitrile
DMB64900-01	4-{[ (2-Methylpropyl) amino]methyl}benzonitrile
EAA16775-01	2- (2-Methylpropyl) phenol
FDA05355-01	2- (2-Methylpropyl) azepane
WCA18259-01	2- (2-Methylpropyl) aniline
AAA58524-01	2-Methylpropyl 2-hydroxypropanoate
ZAA07012-01	(2-Methylpropyl) (2-phenylethyl) amine
UQB60373-01	(2-Methoxyethyl) (2-methylpropyl) amine
TLB86499-01	[2- (2-Methylpropyl) phenyl]methanamine
XLD05318-01	2- (2-Methylpropyl) azetidine hydrochloride

Catalog	Name
OR1092648-01	4- (1-hydroxy-2-methylpropyl) benzonitrile
OR1071671-01	(S) -2- (1-Amino-2-methylpropyl) benzonitrile hydrochloride
PC1011653-01	4-fluoro-3- (1-hydroxy-2-methylpropyl) benzonitrile
414396-01	2- (Trifluoromethoxy) benzonitrile
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414141-01	2- (Cyclopentylamino) benzonitrile
414122-01	2- (Chloromethyl) benzonitrile
414011-01	2- (Benzylamino) benzonitrile
TRC-D425605-100MG	2-Dibromomethyl-benzonitrile