3-Methylbenzotriazol-4-amine - CAS 13183-01-2
Catalog: |
BB051836 |
Product Name: |
3-Methylbenzotriazol-4-amine |
CAS: |
13183-01-2 |
Synonyms: |
7-Amino-1-methyl-1H-benzotriazole; 1-Methyl-1H-1,2,3-benzotriazol-7-amine; 1-methylbenzotriazole-7-ylamine; 1H-Benzotriazole, 7-amino-1-methyl- |
IUPAC Name: | 3-methylbenzotriazol-4-amine |
Molecular Weight: | 148.17 |
Molecular Formula: | C7H8N4 |
Canonical SMILES: | CN1C2=C(C=CC=C2N=N1)N |
InChI: | InChI=1S/C7H8N4/c1-11-7-5(8)3-2-4-6(7)9-10-11/h2-4H,8H2,1H3 |
InChI Key: | SUQCICOFGWTRRV-UHFFFAOYSA-N |
Purity: | 98% |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.074896272 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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