4-(Aminomethyl)benzoic acid
C₈H₉NO₂·151.160 g/mol·CID 65526
IUPAC: 4-(aminomethyl)benzoic acid
Also known as: 56-91-7, Aminomethylbenzoic acid, Pamba, 4-Aminomethylbenzoic acid, Styptopur (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
151.160g/mol
Exact Mass
151.063329Da
Monoisotopic Mass
151.063329Da
XLogP
-1.6
Polar Surface Area
63.3Ų
Complexity
139
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
11
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 151.2 g/mol
MW ≤ 500
✓ -1.6
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C8H9NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5,9H2,(H,10,11)
Isomers8 compounds with formula C₈H₉NO₂
N-(4-hydroxyphenyl)acetamide
CID 1983 · 151.2 g/mol
methyl 2-aminobenzoate
CID 8635 · 151.2 g/mol
N-(3-hydroxyphenyl)acetamide
CID 12124 · 151.2 g/mol
N-(2-hydroxyphenyl)acetamide
CID 11972 · 151.2 g/mol
ethyl pyridine-3-carboxylate
CID 69188 · 151.2 g/mol
3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 6808 · 151.2 g/mol
1,2-dimethyl-4-nitrobenzene
CID 7440 · 151.2 g/mol
4-methoxybenzamide
CID 76959 · 151.2 g/mol