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2,5-Dihydroxyphenethylamine

CAT: 0572-TRC-D495395-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D495395-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21581-41-9
Hazard Statement
No Data Available
Smiles
NCCc1cc(O)ccc1O
Molecular Formula
C8 H11 N O2
Molecular Weight
153.178
InChI
InChI=1S/C8H11NO2/c9-4-3-6-5-7(10)1-2-8(6)11/h1-2,5,10-11H,3-4,9H2
Additionnal Information
IUPAC name: 2-(2-aminoethyl)benzene-1,4-diol
Shipping Conditions
Room Temperature

Chemical Information

2-(2-Aminoethyl)benzene-1,4-diol
CAS Number21581-41-9
PubChem CID21972366
IUPAC Name2-(2-aminoethyl)benzene-1,4-diol
Molecular FormulaC8H11NO2
Molecular Weight153.18
XLogP0.5
Topological Polar Surface Area66.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
C1=CC(=C(C=C1O)CCN)O
InChI
InChI=1S/C8H11NO2/c9-4-3-6-5-7(10)1-2-8(6)11/h1-2,5,10-11H,3-4,9H2
InChIKey
XYMGUIWNLBMCIF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Aminoethyl)benzene-1,4-diol
CAS: 21581-41-9
CID: 21972366
Formula: C8H11NO2
MW: 153.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.18
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass153.078978594
Monoisotopic Mass153.078978594
Topological Polar Surface Area66.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
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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