1-(1-Ethyl-1H-1,2,4-triazol-5-yl)ethanamine - CAS 1015846-51-1
Catalog: |
BB000556 |
Product Name: |
1-(1-Ethyl-1H-1,2,4-triazol-5-yl)ethanamine |
CAS: |
1015846-51-1 |
Synonyms: |
1-(2-ethyl-1,2,4-triazol-3-yl)ethanamine |
IUPAC Name: | 1-(2-ethyl-1,2,4-triazol-3-yl)ethanamine |
Description: | 1-(1-Ethyl-1H-1,2,4-triazol-5-yl)ethanamine (CAS# 1015846-51-1) is a useful research chemical. |
Molecular Weight: | 140.19 |
Molecular Formula: | C6H12N4 |
Canonical SMILES: | CCN1C(=NC=N1)C(C)N |
InChI: | InChI=1S/C6H12N4/c1-3-10-6(5(2)7)8-4-9-10/h4-5H,3,7H2,1-2H3 |
InChI Key: | BSQRPRIGWJTGNY-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 1.01800 |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.1061964 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.1061964 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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