4-Benzylaniline Hydrochloride - CAS 6317-57-3
Catalog: |
BB032040 |
Product Name: |
4-Benzylaniline Hydrochloride |
CAS: |
6317-57-3 |
Synonyms: |
4-(phenylmethyl)aniline;hydrochloride; 4-benzylaniline;hydrochloride |
IUPAC Name: | 4-benzylaniline;hydrochloride |
Description: | 4-Benzylaniline Hydrochloride (CAS# 6317-57-3) is a useful research chemical. |
Molecular Weight: | 219.71 |
Molecular Formula: | C13H14ClN |
Canonical SMILES: | C1=CC=C(C=C1)CC2=CC=C(C=C2)N.Cl |
InChI: | InChI=1S/C13H13N.ClH/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;/h1-9H,10,14H2;1H |
InChI Key: | GQGXIDBMRPMPCD-UHFFFAOYSA-N |
Boiling Point: | 300 °C at 760 mmHg |
MDL: | MFCD01679497 |
LogP: | 3.44080 |
Publication Number | Title | Priority Date |
TW-I287018-B | Glucopyranosides conjugates of 2-(4-hydroxy-phenyl)-3-methyl-1-[4-(2-amin-1-yl-ethoxy)-benzyl]-1H-indol-5-ols | 19990913 |
CA-2188798-C | Tryptamine derivatives as 5-ht-1d receptor ligands | 19940506 |
EP-0758320-A1 | Tryptamine derivatives as 5-ht-1d receptor ligands | 19940506 |
US-5504101-A | 5-HT-1D receptor ligands | 19940506 |
WO-9530655-A1 | Tryptamine derivatives as 5-ht-1d receptor ligands | 19940506 |
PMID | Publication Date | Title | Journal |
19088984 | 20090114 | A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene | Physical chemistry chemical physics : PCCP |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.0814771 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.0814771 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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