3-Cyclobutyl-1H-1,2,4-triazole - CAS 1199215-93-4
Catalog: |
BB004687 |
Product Name: |
3-Cyclobutyl-1H-1,2,4-triazole |
CAS: |
1199215-93-4 |
Synonyms: |
5-cyclobutyl-1H-1,2,4-triazole |
IUPAC Name: | 5-cyclobutyl-1H-1,2,4-triazole |
Description: | 3-Cyclobutyl-1H-1,2,4-triazole (CAS# 1199215-93-4) is a useful research chemical. |
Molecular Weight: | 123.16 |
Molecular Formula: | C6H9N3 |
Canonical SMILES: | C1CC(C1)C2=NC=NN2 |
InChI: | InChI=1S/C6H9N3/c1-2-5(3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9) |
InChI Key: | GUXDCSDPNPVZOS-UHFFFAOYSA-N |
Purity: | 95 % |
MDL: | MFCD13188588 |
LogP: | 1.07220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2017260125-A9 | Aromatic sulfonamide derivatives | 20160503 |
CN-109415321-A | Aromatic sulfonamides derivative | 20160503 |
JP-2019519484-A | Aromatic sulfonamide derivative | 20160503 |
US-2019119210-A1 | Aromatic sulfonamide derivatives | 20160503 |
EP-3458443-B1 | Aromatic sulfonamide derivatives | 20160503 |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.079647300 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.079647300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 41.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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