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[3- (Morpholinomethyl) phenyl]methylamine

CAT: 0926-RDA27183-01Size: 0.25 gDry Ice: NoHazardous: No
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CAT#:0926-RDA27183-01Size:0.25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
91271-83-9
MDL Number
MFCD06657777
Smiles
C1COCCN1CC2=CC=CC (=C2) CN
Molecular Formula
C12H18N2O
Molecular Weight
206.29 g/mol
Controlled
No

Chemical Information

3-Morpholin-4-ylmethyl-benzylamine
CAS Number91271-83-9
PubChem CID6484182
IUPAC Name[3-(morpholin-4-ylmethyl)phenyl]methanamine
Molecular FormulaC12H18N2O
Molecular Weight206.28
XLogP0.4
Topological Polar Surface Area38.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity180
SMILES
C1COCCN1CC2=CC=CC(=C2)CN
InChI
InChI=1S/C12H18N2O/c13-9-11-2-1-3-12(8-11)10-14-4-6-15-7-5-14/h1-3,8H,4-7,9-10,13H2
InChIKey
JCIFAZAIURDZQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Morpholin-4-ylmethyl-benzylamine
CAS: 91271-83-9
CID: 6484182
Formula: C12H18N2O
MW: 206.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.28
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass206.141913202
Monoisotopic Mass206.141913202
Topological Polar Surface Area38.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity180
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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