ethyl 4-aminobenzoate
C₉H₁₁NO₂·165.190 g/mol·CID 2337
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
165.190g/mol
Exact Mass
165.078979Da
Monoisotopic Mass
165.078979Da
XLogP
1.9
Polar Surface Area
52.3Ų
Complexity
151
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
12
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 165.2 g/mol
MW ≤ 500
✓ 1.9
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H317May cause an allergic skin reactionH370Causes damage to organsH411Toxic to aquatic life with long lasting effectsH402Harmful to aquatic lifeH412Harmful to aquatic life with long lasting effectsH372Causes damage to organs through prolonged or repeated exposure
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
Isomers8 compounds with formula C₉H₁₁NO₂
(2S)-2-amino-3-phenylpropanoic acid
CID 6140 · 165.2 g/mol
methyl 2-(methylamino)benzoate
CID 6826 · 165.2 g/mol
2-ethoxybenzamide
CID 3282 · 165.2 g/mol
(2R)-2-amino-3-phenylpropanoic acid
CID 71567 · 165.2 g/mol
(3-methylphenyl) N-methylcarbamate
CID 14322 · 165.2 g/mol
N-(4-methoxyphenyl)acetamide
CID 5827 · 165.2 g/mol
ethyl 2-aminobenzoate
CID 6877 · 165.2 g/mol
2-amino-3-phenylpropanoic acid
CID 994 · 165.2 g/mol