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[2- (2-Methoxyethoxy) -4-methylphenyl]methanamine

CAT: 0926-ZZB72127-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-ZZB72127-01Size:50 mg
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CAS Number
1249721-27-4
MDL Number
MFCD16704885
Smiles
CC1=CC (=C (C=C1) CN) OCCOC
Molecular Formula
C11H17NO2
Molecular Weight
195.26 g/mol
Controlled
No

Chemical Information

[2-(2-Methoxyethoxy)-4-methylphenyl]methanamine
CAS Number1249721-27-4
PubChem CID62308679
IUPAC Name[2-(2-methoxyethoxy)-4-methylphenyl]methanamine
Molecular FormulaC11H17NO2
Molecular Weight195.26
XLogP1
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity152
SMILES
CC1=CC(=C(C=C1)CN)OCCOC
InChI
InChI=1S/C11H17NO2/c1-9-3-4-10(8-12)11(7-9)14-6-5-13-2/h3-4,7H,5-6,8,12H2,1-2H3
InChIKey
PXPRWLRSXGSTFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [2-(2-Methoxyethoxy)-4-methylphenyl]methanamine
CAS: 1249721-27-4
CID: 62308679
Formula: C11H17NO2
MW: 195.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight195.26
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass195.125928785
Monoisotopic Mass195.125928785
Topological Polar Surface Area44.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity152
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