3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine - CAS 1060817-15-3
Catalog: |
BB001812 |
Product Name: |
3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine |
CAS: |
1060817-15-3 |
Synonyms: |
3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-amine |
IUPAC Name: | 3-(3,5-dimethyl-1,2,4-triazol-1-yl)propan-1-amine |
Description: | 3-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)-1-propanamine (CAS# 1060817-15-3) is a useful research chemical. |
Molecular Weight: | 154.21 |
Molecular Formula: | C7H14N4 |
Canonical SMILES: | CC1=NN(C(=N1)C)CCCN |
InChI: | InChI=1S/C7H14N4/c1-6-9-7(2)11(10-6)5-3-4-8/h3-5,8H2,1-2H3 |
InChI Key: | UUJBKYUVARGEOD-UHFFFAOYSA-N |
Purity: | 95 % |
Storage: | Sealed in dry, 2-8 °C |
MDL: | MFCD11053926 |
LogP: | 0.94400 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.121846464 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.121846464 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 56.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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