4-Amino-3,5-dimethyl-1,2,4-triazole - CAS 3530-15-2
Catalog: |
BB047005 |
Product Name: |
4-Amino-3,5-dimethyl-1,2,4-triazole |
CAS: |
3530-15-2 |
Synonyms: |
3,5-Dimethyl-4H-1,2,4-triazol-4-amine; 4H-1,2,4-Triazol-4-amine, 3,5-dimethyl-; NSC-23773 |
IUPAC Name: | 3,5-dimethyl-1,2,4-triazol-4-amine |
Description: | 4-Amino-3,5-dimethyl-1,2,4-triazole (CAS# 3530-15-2 ) is a useful research chemical. |
Molecular Weight: | 112.13 |
Molecular Formula: | C4H8N4 |
Canonical SMILES: | CC1=NN=C(N1N)C |
InChI: | InChI=1S/C4H8N4/c1-3-6-7-4(2)8(3)5/h5H2,1-2H3 |
InChI Key: | MIIKMZAVLKMOFM-UHFFFAOYSA-N |
Boiling Point: | 300.7 °C at 760 mmHg |
Melting Point: | 196-199 °C |
Purity: | 98 % by GC |
Density: | 1.34 g/cm3 |
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: | 74.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.074896272 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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