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3,5-Dimethyl-2-phenylmorpholine

CAT: 0572-TRC-B417538-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B417538-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1218345-44-8
Synonyms
3,5-Dimethyl-2-phenylmorpholine
Hazard Statement
No Data Available
Smiles
CC1COC(C(C)N1)c2ccccc2
Molecular Formula
C12 H17 N O
Molecular Weight
191.269
InChI
InChI=1S/C12H17NO/c1-9-8-14-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
Additionnal Information
IUPAC name: 3,5-dimethyl-2-phenylmorpholine
Shipping Conditions
Room Temperature

Chemical Information

Pdm-35
CAS Number1218345-44-8
PubChem CID43367115
IUPAC Name3,5-dimethyl-2-phenylmorpholine
Molecular FormulaC12H17NO
Molecular Weight191.27
XLogP1.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity177
SMILES
CC1COC(C(N1)C)C2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c1-9-8-14-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3
InChIKey
YKCSYIYQRSVLAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pdm-35
CAS: 1218345-44-8
CID: 43367115
Formula: C12H17NO
MW: 191.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight191.27
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass191.131014166
Monoisotopic Mass191.131014166
Topological Polar Surface Area21.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity177
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes