3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol - CAS 18595-97-6
Catalog: |
BB047220 |
Product Name: |
3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol |
CAS: |
18595-97-6 |
Synonyms: |
3-(5-amino-4H-1,2,4-triazol-3-yl)propan-1-ol; 3-(5-amino-1H-1,2,4-triazol-3-yl)propan-1-ol; 3-(5-Amino-4H-[1,2,4]triazol-3-yl)propan-1-ol |
IUPAC Name: | 3-(3-amino-1H-1,2,4-triazol-5-yl)propan-1-ol |
Description: | 3-(5-Amino-4H-[1,2,4]triazol-3-yl)-propan-1-ol (CAS# 18595-97-6 ) is a useful research chemical. |
Molecular Weight: | 142.16 |
Molecular Formula: | C5H10N4O |
Canonical SMILES: | C(CC1=NC(=NN1)N)CO |
InChI: | InChI=1S/C5H10N4O/c6-5-7-4(8-9-5)2-1-3-10/h10H,1-3H2,(H3,6,7,8,9) |
InChI Key: | JCYHSFGSMIVOPG-UHFFFAOYSA-N |
Boiling Point: | 449.6 °C at 760 mmHg |
Density: | 1.376 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 99.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.08546096 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.08546096 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 87.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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