(2S,5S) -2,5-Dimethylmorpholine HCl ee

CAT: 0926-TCA04356-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-TCA04356-01Size:0.1 g

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CAS Number

68043-56-1

MDL Number

MFCD22199176

Smiles

C[C@H]1CN[C@H] (CO1) C.Cl

Molecular Formula

C6H14ClNO

Molecular Weight

151.63 g/mol

Controlled

Chemical Information

(2S,5S)-2,5-dimethylmorpholine

CAS Number	68043-56-1
PubChem CID	641781
IUPAC Name	(2S,5S)-2,5-dimethylmorpholine
Molecular Formula	C6H13NO
Molecular Weight	115.17
XLogP	0.3
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	74

SMILES

C[C@H]1CN[C@H](CO1)C

InChI

InChI=1S/C6H13NO/c1-5-4-8-6(2)3-7-5/h5-7H,3-4H2,1-2H3/t5-,6-/m0/s1

InChIKey

RPSYMAMREDJAES-WDSKDSINSA-N

Chemical Structure

2D Structure

CAS: 68043-56-1

CID: 641781

Formula: C6H13NO

MW: 115.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.17
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	115.099714038
Monoisotopic Mass	115.099714038
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	74.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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
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