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2-Methoxy-3-phenylpropan-1-amine

CAT: 0926-IKB54549-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-IKB54549-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
883545-49-1
MDL Number
MFCD06248075
Smiles
COC (CC1=CC=CC=C1) CN
Molecular Formula
C10H15NO
Molecular Weight
165.23 g/mol
Controlled
No

Chemical Information

2-Methoxy-3-phenylpropan-1-amine
CAS Number883545-49-1
PubChem CID45074956
IUPAC Name2-methoxy-3-phenylpropan-1-amine
Molecular FormulaC10H15NO
Molecular Weight165.23
XLogP1.2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity110
SMILES
COC(CC1=CC=CC=C1)CN
InChI
InChI=1S/C10H15NO/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8,11H2,1H3
InChIKey
DIOGSRGTNMACOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-3-phenylpropan-1-amine
CAS: 883545-49-1
CID: 45074956
Formula: C10H15NO
MW: 165.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.23
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass165.115364102
Monoisotopic Mass165.115364102
Topological Polar Surface Area35.3 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

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