4-tert-Butylbenzoic hydrazide - CAS 43100-38-5
Catalog: |
BB025320 |
Product Name: |
4-tert-Butylbenzoic hydrazide |
CAS: |
43100-38-5 |
Synonyms: |
4-tert-butylbenzohydrazide |
IUPAC Name: | 4-tert-butylbenzohydrazide |
Description: | 4-tert-Butylbenzoic hydrazide (CAS# 43100-38-5) is a useful research chemical. |
Molecular Weight: | 192.26 |
Molecular Formula: | C11H16N2O |
Canonical SMILES: | CC(C)(C)C1=CC=C(C=C1)C(=O)NN |
InChI: | InChI=1S/C11H16N2O/c1-11(2,3)9-6-4-8(5-7-9)10(14)13-12/h4-7H,12H2,1-3H3,(H,13,14) |
InChI Key: | XYUFQWDLRLHUPB-UHFFFAOYSA-N |
Melting Point: | 120-127 ℃ |
Purity: | 95 % |
Density: | 1.046 g/cm3 |
Appearance: | White to light beige crystalline powder or |
MDL: | MFCD00014763 |
LogP: | 2.67880 |
GHS Hazard Statement: | H302 (88.37%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22216420 | 20120227 | Coordination versatility of tridentate pyridyl aroylhydrazones towards iron: tracking down the elusive aroylhydrazono-based ferric spin-crossover molecular materials | Dalton transactions (Cambridge, England : 2003) |
20489719 | 20100601 | Nucleophilic catalysis of acylhydrazone equilibration for protein-directed dynamic covalent chemistry | Nature chemistry |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.126263138 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.126263138 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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