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4-Methoxybenzylamine

CAT: 0127-OR5028-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR5028-01Size:25 g
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CAS Number
2393-23-9
Synonyms
(4-Methoxyphenyl) methylamine, 4- (Aminomethyl) anisole
MDL Number
MFCD00008122
Purity
98%
Smiles
COc1ccc(CN)cc1

Chemical Information

4-Methoxybenzylamine

1-(4-methoxyphenyl)methanamine is an aralkylamino compound that is benzylamine substituted by a methoxy group at the para position. It is an aromatic ether, a primary amino compound and an aralkylamino compound.

CAS Number2393-23-9
PubChem CID75452
IUPAC Name(4-methoxyphenyl)methanamine
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP0.8
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
COC1=CC=C(C=C1)CN
InChI
InChI=1S/C8H11NO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3
InChIKey
IDPURXSQCKYKIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybenzylamine
CAS: 2393-23-9
CID: 75452
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area35.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.3
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
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Alternative Products

CatalogName
283349-014-Methoxybenzylamine
HY-Y0869S-014-Methoxybenzylamine-d3
424983-013-Chloro-4-methoxybenzylamine
TRC-P399278-500MGN-Phenyl-4-methoxybenzylamine
sc-2773854-Fluoro-2-methoxybenzylamine
TRC-H250775-250MG4-Hydroxy-3-methoxybenzylamine
GHC96633-014-Difluoromethoxy-3-methoxybenzylamine hydrochloride
FF67488-012-Fluoro-4-methoxybenzylamine hydrochloride
280242-014-Hydroxy-3-methoxybenzylamine hydrochloride
sc-2995934,5-Difluoro-2-methoxybenzylamine

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