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2- ((Dimethylamino) Methyl) Phenol

CAT: 0127-OR1023699Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1023699Size:5 mL
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CAS Number
120-65-0
Synonyms
2-[ (dimethylamino) methyl]phenol
Purity
70%
Smiles
CN(C)CC1=CC=CC=C1O

Chemical Information

2-((Dimethylamino)methyl)phenol
CAS Number120-65-0
PubChem CID32897
IUPAC Name2-[(dimethylamino)methyl]phenol
Molecular FormulaC9H13NO
Molecular Weight151.21
XLogP0.9
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity114
SMILES
CN(C)CC1=CC=CC=C1O
InChI
InChI=1S/C9H13NO/c1-10(2)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3
InChIKey
FUIQBJHUESBZNU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((Dimethylamino)methyl)phenol
CAS: 120-65-0
CID: 32897
Formula: C9H13NO
MW: 151.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight151.21
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass151.099714038
Monoisotopic Mass151.099714038
Topological Polar Surface Area23.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity114
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