N-Benzylaniline - CAS 103-32-2
Catalog: |
BB001084 |
Product Name: |
N-Benzylaniline |
CAS: |
103-32-2 |
Synonyms: |
Benzenemethanamine, N-phenyl-; Benzylamine, N-phenyl-; N-Phenylbenzenemethanamine; Benzenamine, N-(phenylmethyl)-; Benzylaniline; Benzylphenylamine; N-Benzyl-N-phenylamine; N-Benzylbenzenamine; N-Benzylphenylamine; N-Phenyl-N-benzylamine; N-Phenylbenzylamine; NSC 147284; Phenylbenzylamine |
IUPAC Name: | N-benzylaniline |
Description: | N-Benzylaniline (CAS# 103-32-2) is a major metabolite of the antihistaminic Antazoline and other N-substituted benzylanilines. |
Molecular Weight: | 183.25 |
Molecular Formula: | C13H13N |
Canonical SMILES: | C1=CC=C(C=C1)CNC2=CC=CC=C2 |
InChI: | InChI=1S/C13H13N/c1-3-7-12(8-4-1)11-14-13-9-5-2-6-10-13/h1-10,14H,11H2 |
InChI Key: | GTWJETSWSUWSEJ-UHFFFAOYSA-N |
Boiling Point: | 306-307°C |
Melting Point: | 35-38°C |
Purity: | ≥95% |
Density: | 1.0298 g/cm3 |
Appearance: | White to tan solid |
Storage: | Store at 2-8°C |
MDL: | MFCD00003018 |
LogP: | 3.37170 |
Vapor Pressure: | 0.000913 [mmHg] |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021123237-A1 | 2-amino-n-(amino-oxo-aryl-lambda6-sulfanylidene)acetamide compounds and their therapeutic use | 20191219 |
WO-2021119753-A1 | Compounds | 20191218 |
WO-2021125831-A2 | Luminescent probe compound for cancer cell detection, and luminescent sensor for cancer cell detection comprising same | 20191218 |
WO-2021122745-A1 | 4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use | 20191216 |
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PMID | Publication Date | Title | Journal |
22823406 | 20120817 | Dissociative benzyl cation transfer versus proton transfer: loss of benzene from protonated N-benzylaniline | The Journal of organic chemistry |
21751403 | 20111004 | Synthesis and structure-activity relationships of a class of sodium iodide symporter function inhibitors | ChemMedChem |
21754497 | 20110501 | N-Benzyl-aniline | Acta crystallographica. Section E, Structure reports online |
21582296 | 20090227 | Redetermination of 1-benzyl-3-furoyl-1-phenyl-thio-urea | Acta crystallographica. Section E, Structure reports online |
19156280 | 20090207 | Synthesis, characterization and catalytic activity of saturated and unsaturated N-heterocyclic carbene iridium(i) complexes | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.104799419 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.104799419 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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