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Homomorpholine hydrochloride

CAT: 0024-sc-269239Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-269239Size:1 g
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CAS Number
178312-62-4

Chemical Information

1,4-Oxazepane hydrochloride
CAS Number178312-62-4
PubChem CID23090214
IUPAC Name1,4-oxazepane;hydrochloride
Molecular FormulaC5H12ClNO
Molecular Weight137.61
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity47
SMILES
C1CNCCOC1.Cl
InChI
InChI=1S/C5H11NO.ClH/c1-2-6-3-5-7-4-1;/h6H,1-5H2;1H
InChIKey
LJRCWNIWOVZLKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Oxazepane hydrochloride
CAS: 178312-62-4
CID: 23090214
Formula: C5H12ClNO
MW: 137.61
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight137.61
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass137.0607417
Monoisotopic Mass137.0607417
Topological Polar Surface Area21.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity47.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes