4-Aminobenzaldehyde - CAS 556-18-3
Catalog: |
BB029114 |
Product Name: |
4-Aminobenzaldehyde |
CAS: |
556-18-3 |
Synonyms: |
4-aminobenzaldehyde; 4-aminobenzaldehyde |
IUPAC Name: | 4-aminobenzaldehyde |
Description: | 4-Aminobenzaldehyde (CAS# 556-18-3 ) is a useful research chemical. |
Molecular Weight: | 121.14 |
Molecular Formula: | C7H7NO |
Canonical SMILES: | C1=CC(=CC=C1C=O)N |
InChI: | InChI=1S/C7H7NO/c8-7-3-1-6(5-9)2-4-7/h1-5H,8H2 |
InChI Key: | VATYWCRQDJIRAI-UHFFFAOYSA-N |
Boiling Point: | 278.1 ℃ at 760 mmHg |
Melting Point: | 77-79 ℃ |
Density: | 0,868 g/cm3 |
Appearance: | Yellow crystalline |
MDL: | MFCD00038137 |
LogP: | 1.66250 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22369433 | 20120320 | Weak interactions between folate and osmolytes in solution | Biochemistry |
22364409 | 20120315 | Photoinduced electron transfer in folic acid investigated by ultrafast infrared spectroscopy | The journal of physical chemistry. B |
21277323 | 20110401 | Preparation of soluble p-aminobenzoyl chitosan ester by Schiff's base and antibacterial activity of the derivatives | International journal of biological macromolecules |
21522652 | 20101215 | 3-{(E)-[(4-Formyl-phen-yl)iminium-yl]meth-yl}naphthalen-2-olate | Acta crystallographica. Section E, Structure reports online |
21301589 | 20101119 | Cancer chemotherapy: targeting folic acid synthesis | Cancer management and research |
Complexity: | 95.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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