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2-Amino-3',4'-dihydroxypropiophenone

CAT: 0572-TRC-A604917-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A604917-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19490-60-9
Hazard Statement
No Data Available; UN number: UN2811; Packing Group: III
Smiles
CC(N)C(=O)c1ccc(O)c(O)c1
Molecular Formula
C9 H11 N O3
Molecular Weight
181.19
InChI
InChI=1S/C9H11NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,11-12H,10H2,1H3
Additionnal Information
IUPAC name: 2-amino-1-(3,4-dihydroxyphenyl)propan-1-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Amino-1-(3,4-dihydroxyphenyl)propan-1-one
CAS Number19490-60-9
PubChem CID4138274
IUPAC Name2-amino-1-(3,4-dihydroxyphenyl)propan-1-one
Molecular FormulaC9H11NO3
Molecular Weight181.19
XLogP0.4
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity195
SMILES
CC(C(=O)C1=CC(=C(C=C1)O)O)N
InChI
InChI=1S/C9H11NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,11-12H,10H2,1H3
InChIKey
VTUFBPJUFSJZCT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-1-(3,4-dihydroxyphenyl)propan-1-one
CAS: 19490-60-9
CID: 4138274
Formula: C9H11NO3
MW: 181.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.19
XLogP30.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass181.07389321
Monoisotopic Mass181.07389321
Topological Polar Surface Area83.6 Ų
Heavy Atom Count13
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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