2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanol - CAS 1060817-28-8
Catalog: |
BB001814 |
Product Name: |
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanol |
CAS: |
1060817-28-8 |
Synonyms: |
2-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-ol |
IUPAC Name: | 2-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-ol |
Description: | 2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanol (CAS# 1060817-28-8) is a useful research chemical. |
Molecular Weight: | 155.20 |
Molecular Formula: | C7H13N3O |
Canonical SMILES: | CC1=NN(C(=N1)C)C(C)CO |
InChI: | InChI=1S/C7H13N3O/c1-5(4-11)10-7(3)8-6(2)9-10/h5,11H,4H2,1-3H3 |
InChI Key: | NMMHSVSXQKZFIU-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 0.44820 |
Complexity: | 131 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 155.105862047 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 155.105862047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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