(3-Amino-1H-1,2,4-triazol-1-yl)acetic acid - CAS 869941-57-1
Catalog: |
BB049236 |
Product Name: |
(3-Amino-1H-1,2,4-triazol-1-yl)acetic acid |
CAS: |
869941-57-1 |
Synonyms: |
2-(3-Amino-1H-1,2,4-triazol-1-yl)acetic acid; 2-(3-amino-1,2,4-triazolyl)acetic acid |
IUPAC Name: | 2-(3-amino-1,2,4-triazol-1-yl)acetic acid |
Description: | (3-Amino-1H-1,2,4-triazol-1-yl)acetic acid (CAS# 869941-57-1 ) is a useful research chemical. |
Molecular Weight: | 142.12 |
Molecular Formula: | C4H6N4O2 |
Canonical SMILES: | C1=NC(=NN1CC(=O)O)N |
InChI: | InChI=1S/C4H6N4O2/c5-4-6-2-8(7-4)1-3(9)10/h2H,1H2,(H2,5,7)(H,9,10) |
InChI Key: | WNEPQGXFDUUWRF-UHFFFAOYSA-N |
Boiling Point: | 478.1±47.0 ℃ at 760 mmHg |
Density: | 1.8±0.1 g/cm3 |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 142.04907545 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 142.04907545 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 94 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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