4- (Morpholinomethyl) benzonitrile

CAT: 0127-OR110690-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR110690-01Size:5 g

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CAS Number

37812-51-4

MDL Number

MFCD00454271

Purity

99%

Smiles

N#Cc1ccc(CN2CCOCC2)cc1

Chemical Information

4-((Morpholin-4-yl)methyl)benzonitrile

CAS Number	37812-51-4
PubChem CID	216864
IUPAC Name	4-(morpholin-4-ylmethyl)benzonitrile
Molecular Formula	C12H14N2O
Molecular Weight	202.25
XLogP	1.3
Topological Polar Surface Area	36.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	231

SMILES

C1COCCN1CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H14N2O/c13-9-11-1-3-12(4-2-11)10-14-5-7-15-8-6-14/h1-4H,5-8,10H2

InChIKey

BCZLYNFDOJXWGN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37812-51-4

CID: 216864

Formula: C12H14N2O

MW: 202.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.25
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	202.110613074
Monoisotopic Mass	202.110613074
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	231
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
OR322351-01	4- (Morpholinomethyl) aniline
OR1042339-01	4- (Morpholinomethyl) benzaldehyde
OR323166	4- (Morpholinomethyl) phenol
OR1056852-01	Ethyl 4- (morpholinomethyl) benzoate
OR1038905-01	(4- (Morpholinomethyl) phenyl) methanol
OR907494-01	4- (Morpholinomethyl) phenylboronic acid
OR1071880-01	4- (Morpholinomethyl) piperidin-4-ol
PC99797-01	4- (morpholinomethyl) -3- (trifluoromethyl) aniline
OR360236-01	[4- (Morpholinomethyl) phenyl]boronic acid
OR510035	1- (4- (Morpholinomethyl) phenyl) ethanone

Catalog	Name
MBA81233	2- (Morpholinomethyl) benzonitrile
FM66797-01	4- (Morpholinomethyl) benzonitrile
abx095139-01	MP-Morpholinomethyl Resin
FDA16601-01	4- (Morpholinomethyl) phenol
FM48320	Morpholinomethyl polystyrene resin
GTR19252096-01	4- (Morpholinomethyl) benzylamine
sc-287619A	2- (Morpholinomethyl) acrylic acid
279262-23-6-01	4- (Morpholinomethyl) Phenylboronic Acid
TRC-M725180-5G	4-(Morpholinomethyl)benzoic Acid
429628-01	4- (Morpholinomethyl) benzoic Acid