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(3-Methoxy-5-methylphenyl) methanamine

CAT: 0127-OR1046631-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1046631-01Size:100 mg
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CAS Number
1261681-27-9
MDL Number
MFCD18398317
Purity
95%
Smiles
NCC1=CC(C)=CC(OC)=C1

Chemical Information

(3-Methoxy-5-methylphenyl)methanamine
CAS Number1261681-27-9
PubChem CID46738207
IUPAC Name(3-methoxy-5-methylphenyl)methanamine
Molecular FormulaC9H13NO
Molecular Weight151.21
XLogP1.1
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity116
SMILES
CC1=CC(=CC(=C1)OC)CN
InChI
InChI=1S/C9H13NO/c1-7-3-8(6-10)5-9(4-7)11-2/h3-5H,6,10H2,1-2H3
InChIKey
JFONZQGFYUJIFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3-Methoxy-5-methylphenyl)methanamine
CAS: 1261681-27-9
CID: 46738207
Formula: C9H13NO
MW: 151.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.21
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass151.099714038
Monoisotopic Mass151.099714038
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity116
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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