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Propamocarb-N-oxide

CAT: 0572-TRC-P758465-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P758465-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
743449-09-4
Synonyms
3-(2-Ethoxyacetamido)-N,N-dimethylpropan-1-amine Oxide
Hazard Statement
Harmful if swallowed
Smiles
CCCOC(=O)NCCC[N+](C)(C)[O-]
Molecular Formula
C9 H20 N2 O3
Molecular Weight
204.2667
InChI
InChI=1S/C9H20N2O3/c1-4-8-14-9(12)10-6-5-7-11(2,3)13/h4-8H2,1-3H3,(H,10,12)
Additionnal Information
IUPAC name: N,N-dimethyl-3-(propoxycarbonylamino)propan-1-amine oxide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Propamocarb-N-oxide
CAS Number743449-09-4
PubChem CID156613469
IUPAC NameN,N-dimethyl-3-(propoxycarbonylamino)propan-1-amine oxide
Molecular FormulaC9H20N2O3
Molecular Weight204.27
XLogP0.7
Topological Polar Surface Area56.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count14
Formal Charge0
Complexity171
SMILES
CCCOC(=O)NCCC[N+](C)(C)[O-]
InChI
InChI=1S/C9H20N2O3/c1-4-8-14-9(12)10-6-5-7-11(2,3)13/h4-8H2,1-3H3,(H,10,12)
InChIKey
RHYOZHJMMSHYAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propamocarb-N-oxide
CAS: 743449-09-4
CID: 156613469
Formula: C9H20N2O3
MW: 204.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.27
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass204.14739250
Monoisotopic Mass204.14739250
Topological Polar Surface Area56.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity171
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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