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Molecule structure of Monobenzyl-p-aminophenol hydrochloride (CAS NO.621-92-1):
IUPAC Name: Benzyl-(4-hydroxyphenyl)azanium chloride
Molecular Weight: 235.70936 g/mol
Molecular Formula: C13H14ClNO
Boiling Point: 369 °C at 760 mmHg
Flash Point: 159.1 °C
Enthalpy of Vaporization: 63.99 kJ/mol
Vapour Pressure: 5.78E-06 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Tautomer Count: 2
Exact Mass: 235.076392
MonoIsotopic Mass: 235.076392
Topological Polar Surface Area: 36.8
Heavy Atom Count: 16
Complexity: 169
Canonical SMILES: C1=CC=C(C=C1)C[NH2+]C2=CC=C(C=C2)O.[Cl-]
InChI: InChI=1S/C13H13NO.ClH/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14-15H,10H2;1H
InChIKey: JBXHUWBBVGSDJX-UHFFFAOYSA-N
EINECS of Monobenzyl-p-aminophenol hydrochloride (CAS NO.621-92-1): 210-715-1
1. | orl-rat LDLo:400 mg/kg | KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) | ||
2. | ipr-rat LD50:100 mg/kg | KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) |
Reported in EPA TSCA Inventory.
Poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of NOx and HCl.
Monobenzyl-p-aminophenol hydrochloride (CAS NO.621-92-1) is also named as NSC 8079 ; N-Benzyl-4-hydroxyanilinium chloride ; Phenol, 4-((phenylmethyl)amino)-, hydrochloride ; Phenol, 4-((phenylmethyl)amino)-, hydrochloride (1:1) ; Phenol, p-(benzylamino)-, hydrochloride .