4-(3-Aminophenyl)benzonitrile - CAS 149505-72-6
Catalog: |
BB010414 |
Product Name: |
4-(3-Aminophenyl)benzonitrile |
CAS: |
149505-72-6 |
Synonyms: |
4-(3-aminophenyl)benzonitrile |
IUPAC Name: | 4-(3-aminophenyl)benzonitrile |
Description: | 4-(3-Aminophenyl)benzonitrile (CAS# 149505-72-6) is a useful research chemical. |
Molecular Weight: | 194.23 |
Molecular Formula: | C13H10N2 |
Canonical SMILES: | C1=CC(=CC(=C1)N)C2=CC=C(C=C2)C#N |
InChI: | InChI=1S/C13H10N2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8H,15H2 |
InChI Key: | FMVREQADBPVLTH-UHFFFAOYSA-N |
Boiling Point: | 414.8 °C at 760 mmHg |
Density: | 1.18 g/cm3 |
MDL: | MFCD04117355 |
LogP: | 3.38868 |
GHS Hazard Statement: | H318 (95%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P273, P280, P305+P351+P338, P310, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3757100-A1 | Triazine compounds substituted with bulky groups | 20190625 |
WO-2020260406-A1 | Triazine compounds substituted with bulky groups | 20190625 |
DE-102018201548-A1 | Electrolytic composition for electrochemical cell for high temperature applications | 20180201 |
WO-2019149812-A1 | Electrolyte composition for electrochemical cell for high-temperature applications | 20180201 |
EP-3731840-A1 | Glycolate oxidase inhibitors and use thereof | 20171229 |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 194.084398327 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 194.084398327 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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