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3 4-Dihydroxy-a-Propylphenylacetamide

CAT: 0286-D30666-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0286-D30666-01Size:100 mg
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CAS Number
154-62-1
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00008021
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

alpha-Propyldopacetamide

tryptophan hydroxylase inhibitor; minor descriptor (75-83); on-line & Index Medicus search AMIDES (75-83)

CAS Number154-62-1
PubChem CID101635
IUPAC Name2-(3,4-dihydroxyphenyl)pentanamide
Molecular FormulaC11H15NO3
Molecular Weight209.24
XLogP1.5
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity220
SMILES
CCCC(C1=CC(=C(C=C1)O)O)C(=O)N
InChI
InChI=1S/C11H15NO3/c1-2-3-8(11(12)15)7-4-5-9(13)10(14)6-7/h4-6,8,13-14H,2-3H2,1H3,(H2,12,15)
InChIKey
GDXQWRJYXZXWMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of alpha-Propyldopacetamide
CAS: 154-62-1
CID: 101635
Formula: C11H15NO3
MW: 209.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.24
XLogP31.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass209.10519334
Monoisotopic Mass209.10519334
Topological Polar Surface Area83.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity220
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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