4- (2-isocyanatoethyl) morpholine

CAT: 0127-OR311268Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR311268Size:1 Each

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CAS Number

116237-40-2

MDL Number

MFCD18269632

Purity

=95%

Smiles

O=C=NCCN1CCOCC1

Notes

May form small amount of sediment

Chemical Information

4-(2-Isocyanatoethyl)morpholine

CAS Number	116237-40-2
PubChem CID	22124539
IUPAC Name	4-(2-isocyanatoethyl)morpholine
Molecular Formula	C7H12N2O2
Molecular Weight	156.18
XLogP	0.7
Topological Polar Surface Area	41.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

C1COCCN1CCN=C=O

InChI

InChI=1S/C7H12N2O2/c10-7-8-1-2-9-3-5-11-6-4-9/h1-6H2

InChIKey

GMBYEADXSKWURI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116237-40-2

CID: 22124539

Formula: C7H12N2O2

MW: 156.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.18
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	156.089877630
Monoisotopic Mass	156.089877630
Topological Polar Surface Area	41.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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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