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2- (dimethylphosphoryl) aniline

CAT: 0926-XXB95347Size: 25 gDry Ice: NoHazardous: No
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CAT#:0926-XXB95347Size:25 g
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CAS Number
1197953-47-1
MDL Number
MFCD23135529
Smiles
CP (=O) (C) C1=CC=CC=C1N
Molecular Formula
C8H12NOP
Molecular Weight
169.2 g/mol
Controlled
No

Chemical Information

(2-Aminophenyl)dimethylphosphine oxide
CAS Number1197953-47-1
PubChem CID67052743
IUPAC Name2-dimethylphosphorylaniline
Molecular FormulaC8H12NOP
Molecular Weight169.16
XLogP0.8
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity175
SMILES
CP(=O)(C)C1=CC=CC=C1N
InChI
InChI=1S/C8H12NOP/c1-11(2,10)8-6-4-3-5-7(8)9/h3-6H,9H2,1-2H3
InChIKey
DHHGHQKIKXKQGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Aminophenyl)dimethylphosphine oxide
CAS: 1197953-47-1
CID: 67052743
Formula: C8H12NOP
MW: 169.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.16
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass169.065651004
Monoisotopic Mass169.065651004
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity175
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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