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3-(Dimethylamlno)phenol

CAT: 0572-TRC-D461300-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D461300-5GSize:5 g
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CAS Number
99-07-0
Hazard Statement
Causes skin irritation
Smiles
CN(C)c1cccc(O)c1
Molecular Formula
C8H11NO
Molecular Weight
137.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(Dimethylamino)phenol

3-dimethylaminophenol appears as needles (from ligroin) or a dark gray solid. (NTP, 1992)

CAS Number99-07-0
PubChem CID7421
IUPAC Name3-(dimethylamino)phenol
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP1.6
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity103
SMILES
CN(C)C1=CC(=CC=C1)O
InChI
InChI=1S/C8H11NO/c1-9(2)7-4-3-5-8(10)6-7/h3-6,10H,1-2H3
InChIKey
MESJRHHDBDCQTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Dimethylamino)phenol
CAS: 99-07-0
CID: 7421
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area23.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
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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