Ethyl 1,5-Dimethyl-1H-1,2,4-triazole-3-carboxylate - CAS 1034197-35-7
Catalog: |
BB001112 |
Product Name: |
Ethyl 1,5-Dimethyl-1H-1,2,4-triazole-3-carboxylate |
CAS: |
1034197-35-7 |
Synonyms: |
1,5-dimethyl-1,2,4-triazole-3-carboxylic acid ethyl ester; ethyl 1,5-dimethyl-1,2,4-triazole-3-carboxylate |
IUPAC Name: | ethyl 1,5-dimethyl-1,2,4-triazole-3-carboxylate |
Description: | Ethyl 1,5-Dimethyl-1H-1,2,4-triazole-3-carboxylate (CAS# 1034197-35-7 ) is a useful research chemical. |
Molecular Weight: | 169.18 |
Molecular Formula: | C7H11N3O2 |
Canonical SMILES: | CCOC(=O)C1=NN(C(=N1)C)C |
InChI: | InChI=1S/C7H11N3O2/c1-4-12-7(11)6-8-5(2)10(3)9-6/h4H2,1-3H3 |
InChI Key: | MZMKZKULUDWQKT-UHFFFAOYSA-N |
LogP: | 0.30020 |
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 |
WO-2008074991-A1 | Novel herbicides | 20061221 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.085126602 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS