4-(5-Tetrazolyl)aniline - CAS 46047-18-1
Catalog: |
BB026063 |
Product Name: |
4-(5-Tetrazolyl)aniline |
CAS: |
46047-18-1 |
Synonyms: |
4-(2H-tetrazol-5-yl)aniline; 4-(2H-tetrazol-5-yl)aniline |
IUPAC Name: | 4-(2H-tetrazol-5-yl)aniline |
Description: | 4-(5-Tetrazolyl)aniline (CAS# 46047-18-1) is used in the preparation of dyes and also functions as a monomer for the synthesis of polymers. |
Molecular Weight: | 161.16 |
Molecular Formula: | C7H7N5 |
Canonical SMILES: | C1=CC(=CC=C1C2=NNN=N2)N |
InChI: | InChI=1S/C7H7N5/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,8H2,(H,9,10,11,12) |
InChI Key: | KTPONJJKCBOJCQ-UHFFFAOYSA-N |
Boiling Point: | 418.8 ℃ at 760 mmHg |
Density: | 1.401 g/cm3 |
Appearance: | Pale-yellow to yellow-brown solid |
LogP: | 1.03010 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
WO-2021136390-A1 | Blood coagulation factor xia inhibitor | 20191231 |
WO-2019040992-A1 | SYNTHETIC DERIVATIVES OF OLÉOYL-LYSOPHOSPHATIDYLINOSITOL (OLEOLYL-LPI) AND USES THEREOF | 20170901 |
US-2020131172-A1 | Dynamin-1-like protein inhibitors | 20170426 |
WO-2018200674-A1 | Dynamin-1-like protein inhibitors | 20170426 |
US-2020071277-A1 | Photoreactive ligands and uses thereof | 20170118 |
PMID | Publication Date | Title | Journal |
18060135 | 20071228 | Selective gas sorption property of an interdigitated 3-D metal-organic framework with 1-D channels | Chemical communications (Cambridge, England) |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 161.07014524 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 161.07014524 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 80.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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