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CAS Number: 40034-44-4
3-(pyridin-4-yl)aniline

Structure

 3-(pyridin-4-yl)aniline
Name: 3-(pyridin-4-yl)aniline
Synonyms:
General Information
Product Number: 40034444

CAS Registry Number 40034-44-4
Name:
Benzenamine, 3-?(4-?pyridinyl)?-
Pyridine, 4-(m-aminophenyl)- (6CI)
3-(4-Pyridinyl)aniline
3-(4-Pyridyl)aniline
3-(Pyridin-4-yl)benzenamine
4-(3-Aminophenyl)pyridine

 

Chemical Formula: C11H10N2
Exact Mass: 170.08
Molecular Weight: 170.21
m/z: 170.08 (100.0%), 171.09 (12.0%)

 

InChI:InChI=1S/C11H10N2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,12H2

InChI Key:BDSBSHZVSVKIHM-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC(=C1)N)C2=CC=NC=C2

 

Thermal Properties Value Condition Note
Melting Point 167-169 °C   (4)IC
Melting Point 165-166 °C Solv: benzene (71-43-2) (5)CAS
Melting Point 164-166 °C Solv: ethyl acetate (141-78-6) (1)CAS
Melting Point 162-163 °C   (2)IC

Specification

98%
References
  1. (1) Bonnet, Muriel; Bioorganic & Medicinal Chemistry 2011, V19(11), P3347-3356 CAPLUS
  2. (2) Ishikura, Minoru; Chemical & Pharmaceutical Bulletin 1985, V33(11), P4755-63 CAPLUS
  3. (4) Carabateas, Philip M.; Journal of Heterocyclic Chemistry 1984, V21(6), P1849-56 CAPLUS
  4. (5) Katritzky, A. R.; Journal of the Chemical Society 1960, P1511-16 CAPLUS
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