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[4- (3-Methoxypropoxy) phenyl]methanamine

CAT: 0926-UTB78371-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-UTB78371-01Size:100 mg
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CAS Number
1094783-71-7
MDL Number
MFCD11620912
Smiles
COCCCOC1=CC=C (C=C1) CN
Molecular Formula
C11H17NO2
Molecular Weight
195.26 g/mol
Controlled
No

Chemical Information

[4-(3-Methoxypropoxy)phenyl]methanamine
CAS Number1094783-71-7
PubChem CID43253994
IUPAC Name[4-(3-methoxypropoxy)phenyl]methanamine
Molecular FormulaC11H17NO2
Molecular Weight195.26
XLogP1
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity133
SMILES
COCCCOC1=CC=C(C=C1)CN
InChI
InChI=1S/C11H17NO2/c1-13-7-2-8-14-11-5-3-10(9-12)4-6-11/h3-6H,2,7-9,12H2,1H3
InChIKey
DONXVVIPTWDLSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(3-Methoxypropoxy)phenyl]methanamine
CAS: 1094783-71-7
CID: 43253994
Formula: C11H17NO2
MW: 195.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.26
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass195.125928785
Monoisotopic Mass195.125928785
Topological Polar Surface Area44.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity133
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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CatalogName
OR92620-01(4- (3-Methoxypropoxy) phenyl) boronic acid
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