4-(Methylamino)benzoic Acid - CAS 10541-83-0
Catalog: |
BB001642 |
Product Name: |
4-(Methylamino)benzoic Acid |
CAS: |
10541-83-0 |
Synonyms: |
4-(methylamino)benzoic acid; 4-(methylamino)benzoic acid |
IUPAC Name: | 4-(methylamino)benzoic acid |
Description: | 4-(Methylamino)benzoic Acid (CAS# 10541-83-0) is a compound useful in organic synthesis. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | CNC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11) |
InChI Key: | ZVIDMSBTYRSMAR-UHFFFAOYSA-N |
Boiling Point: | 321.6 °C at 760 mmHg |
Density: | 1.244 g/cm3 |
Appearance: | Beige powder |
MDL: | MFCD00002535 |
LogP: | 1.49950 |
GHS Hazard Statement: | H302 (89.13%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22412413 | 20120301 | catena-Poly[[(μ-3-hy-droxy-benzoato-κO,O:O)(μ-3-hy-droxy-benzoato-κO,O:O)(isonicotinamide-κN)-lead(II)] monohydrate] | Acta crystallographica. Section E, Structure reports online |
22346866 | 20120201 | Bis(μ-3-hy-droxy-benzoato)-κO,O:O;κO:O,O-bis-[(3-hy-droxy-benzoato-κO,O')(iso-nicotinamide-κN)cadmium] tetra-hydrate | Acta crystallographica. Section E, Structure reports online |
21993255 | 20111215 | pH-dependent spectral properties of para-aminobenzoic acid and its derivatives | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21912806 | 20111101 | Insights into the homocoupling reaction of 4-methylamino benzoic acid mediated by Trametes versicolor laccase | Molecular bioSystems |
21481400 | 20110520 | Targeting metabolomics analysis of the sunscreen agent 2-ethylhexyl 4-(N,N-dimethylamino)benzoate in human urine by automated on-line solid-phase extraction-liquid chromatography-tandem mass spectrometry with liquid chromatography-time-of-flight/mass spectrometry confirmation | Journal of chromatography. A |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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