3-(3-Pyridyl)aniline - CAS 57976-57-5
Catalog: |
BB029889 |
Product Name: |
3-(3-Pyridyl)aniline |
CAS: |
57976-57-5 |
Synonyms: |
3-(3-pyridinyl)aniline; 3-pyridin-3-ylaniline |
IUPAC Name: | 3-pyridin-3-ylaniline |
Description: | 3-(3-Pyridyl)aniline (CAS# 57976-57-5) is a useful research chemical. |
Molecular Weight: | 170.21 |
Molecular Formula: | C11H10N2 |
Canonical SMILES: | C1=CC(=CC(=C1)N)C2=CN=CC=C2 |
InChI: | InChI=1S/C11H10N2/c12-11-5-1-3-9(7-11)10-4-2-6-13-8-10/h1-8H,12H2 |
InChI Key: | YTJQJGKMRLQBJP-UHFFFAOYSA-N |
Boiling Point: | 368.5 °C at 760 mmHg |
Density: | 1.133 g/cm3 |
LogP: | 2.91200 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111187273-A | Organic compound and application thereof | 20200226 |
US-2021323942-A1 | Heterocyclic compounds for modulating nr2f6 | 20200225 |
WO-2021170658-A1 | Heterocyclic compounds for modulating nr2f6 | 20200225 |
WO-2021050556-A1 | Compositions and methods for inhibiting ribosome inactivating proteins | 20190909 |
WO-2020260406-A1 | Triazine compounds substituted with bulky groups | 20190625 |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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