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(4-Chlorophenyl) (4-methylmorpholin-2-yl) methanamine

CAT: 0926-YGC02820-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-YGC02820-01Size:50 mg
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CAS Number
1423028-20-9
MDL Number
MFCD21792300
Smiles
CN1CCOC (C1) C (C2=CC=C (C=C2) Cl) N
Molecular Formula
C12H17ClN2O
Molecular Weight
240.73 g/mol
Controlled
No

Chemical Information

(4-Chlorophenyl)(4-methylmorpholin-2-yl)methanamine
CAS Number1423028-20-9
PubChem CID71683229
IUPAC Name(4-chlorophenyl)-(4-methylmorpholin-2-yl)methanamine
Molecular FormulaC12H17ClN2O
Molecular Weight240.73
XLogP1.2
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity219
SMILES
CN1CCOC(C1)C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C12H17ClN2O/c1-15-6-7-16-11(8-15)12(14)9-2-4-10(13)5-3-9/h2-5,11-12H,6-8,14H2,1H3
InChIKey
RHYYQGWSIACSKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chlorophenyl)(4-methylmorpholin-2-yl)methanamine
CAS: 1423028-20-9
CID: 71683229
Formula: C12H17ClN2O
MW: 240.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.73
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass240.1029409
Monoisotopic Mass240.1029409
Topological Polar Surface Area38.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity219
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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