CN(C)C1=CC=CC(=C1)C(=O)O
CAS: 99-64-9
Name: 3-(dimethylamino)benzoic acid
SMILES: CN(C)C1=CC=CC(=C1)C(=O)O

Molecular Processing

Molecular formula
C9H11NO2
Molecular weight
165.19
Exact mass
165.079
XLogP
1.45
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
47.73

Supplementary Information

InChIKey: NEGFNJRAUMCZMY-UHFFFAOYSA-N
Synonyme
3-(Dimethylamino)benzoic acid99-64-93-Dimethylaminobenzoic acidBenzoic acid, 3-(dimethylamino)-m-(Dimethylamino)benzoic acidN,N-Dimethyl-m-aminobenzoic acidBenzoic acid, m-(dimethylamino)-NSC-7197M47AQ3FS7EDTXSID7059199RefChem:926333-DMABDTXCID0049109202-775-2MFCD000024973-(dimethylamino) benzoic acid3-N,N-Dimethylaminobenzoic acidm-DIMETHYLAMINOBENZOIC ACID3-dimethylamino benzoic acid3-(Dimethylamino)benzoicAcidNSC 7197EINECS 202-775-23-Dimethylamino-benzoic acidSCHEMBL222176CHEMBL111877SCHEMBL8765661SCHEMBL27656635SCHEMBL29625195NSC71973-(n,n-dimethylamino)benzoic acid
Quelle anzeigen →
An 69 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→