4- (Morpholinocarbonyl) benzylamine

CAT: 0926-YLB13847-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-YLB13847-01Size:100 mg

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CAS Number

923138-47-0

MDL Number

MFCD08444572

Smiles

C1COCCN1C (=O) C2=CC=C (C=C2) CN

Molecular Formula

C12H16N2O2

Molecular Weight

220.27 g/mol

Controlled

Chemical Information

4-(Morpholinocarbonyl)benzylamine

CAS Number	923138-47-0
PubChem CID	16227738
IUPAC Name	[4-(aminomethyl)phenyl]-morpholin-4-ylmethanone
Molecular Formula	C12H16N2O2
Molecular Weight	220.27
XLogP	-0.1
Topological Polar Surface Area	55.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	231

SMILES

C1COCCN1C(=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C12H16N2O2/c13-9-10-1-3-11(4-2-10)12(15)14-5-7-16-8-6-14/h1-4H,5-9,13H2

InChIKey

HNCQITIOVQUUQB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 923138-47-0

CID: 16227738

Formula: C12H16N2O2

MW: 220.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.27
XLogP3	-0.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	220.121177757
Monoisotopic Mass	220.121177757
Topological Polar Surface Area	55.6 Å²
Heavy Atom Count	16
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
EFB92030	4- (Difluoromethyl) benzylamine
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FF53173	4- (4-Fluorophenoxy) benzylamine hydrochloride
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UJB94530-01	2- (4-Fluorophenoxy) -benzylamine
FB35462-01	4- (Bromomethyl) benzylamine HBr
GDA12345-01	Alpha- (4-hydroxyphenyl) benzylamine
FD67045-01	(4, N-Dimethylamino) benzylamine
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PGC95829	4-Morpholin-4-ylmethyl-benzylamine dihydrochloride

Catalog	Name
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