N- (3-Cyanophenyl) morpholine-4-carboxamide

CAT: 0926-MDB30176-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-MDB30176-01Size:0.5 g

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CAS Number

712301-76-3

MDL Number

MFCD04070001

Smiles

C1COCCN1C (=O) NC2=CC=CC (=C2) C#N

Molecular Formula

C12H13N3O2

Molecular Weight

231.25 g/mol

Controlled

Chemical Information

N-(3-cyanophenyl)morpholine-4-carboxamide

CAS Number	712301-76-3
PubChem CID	4626369
IUPAC Name	N-(3-cyanophenyl)morpholine-4-carboxamide
Molecular Formula	C12H13N3O2
Molecular Weight	231.25
XLogP	0.8
Topological Polar Surface Area	65.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	317

SMILES

C1COCCN1C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H13N3O2/c13-9-10-2-1-3-11(8-10)14-12(16)15-4-6-17-7-5-15/h1-3,8H,4-7H2,(H,14,16)

InChIKey

NIECCXDDCDXDCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 712301-76-3

CID: 4626369

Formula: C12H13N3O2

MW: 231.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	231.25
XLogP3	0.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	231.100776666
Monoisotopic Mass	231.100776666
Topological Polar Surface Area	65.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	317
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

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Catalog	Name
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