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3-Hydroxy-n-methyl-3-phenyl-propylamine

CAT: 0013-GTR19250765-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250765-01Size:1 g
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Description
3-Hydroxy-n-methyl-3-phenyl-propylamine
CAS Number
42142-52-9
Smiles
CNCCC (O) c1ccccc1
Molecular Formula
C12H18N2O2
Molecular Weight
222.288
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Methylamino-1-phenylpropanol
CAS Number42142-52-9
PubChem CID2733989
IUPAC Name3-(methylamino)-1-phenylpropan-1-ol
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity110
SMILES
CNCCC(C1=CC=CC=C1)O
InChI
InChI=1S/C10H15NO/c1-11-8-7-10(12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
InChIKey
XXSDCGNHLFVSET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylamino-1-phenylpropanol
CAS: 42142-52-9
CID: 2733989
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area32.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes