3-(1H-1,2,4-Triazol-1-yl)propan-1-ol - CAS 84497-70-1
Catalog: |
BB037219 |
Product Name: |
3-(1H-1,2,4-Triazol-1-yl)propan-1-ol |
CAS: |
84497-70-1 |
Synonyms: |
3-(1,2,4-triazol-1-yl)propan-1-ol |
IUPAC Name: | 3-(1,2,4-triazol-1-yl)propan-1-ol |
Description: | 3-(1H-1,2,4-Triazol-1-yl)propan-1-ol (CAS# 84497-70-1) is a useful research chemical. |
Molecular Weight: | 127.14 |
Molecular Formula: | C5H9N3O |
Canonical SMILES: | C1=NN(C=N1)CCCO |
InChI: | InChI=1S/C5H9N3O/c9-3-1-2-8-5-6-4-7-8/h4-5,9H,1-3H2 |
InChI Key: | IFIXOVUEWNCJED-UHFFFAOYSA-N |
Boiling Point: | 310.3 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.24 g/cm3 |
LogP: | -0.33950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020530060-A | Modified conjugated diene polymer and rubber composition containing it | 20171205 |
JP-6918202-B2 | Modified conjugated diene polymer and rubber composition containing it | 20171205 |
EP-1994023-A1 | Quinazoline derivatives | 20060302 |
EP-1994024-A2 | Quinoline derivatives | 20060302 |
EP-1994025-A1 | Quinoline derivatives | 20060302 |
Complexity: | 78.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.074561919 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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