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Phenbenzamine

HCID 13751
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
961-71-7
Standard SMILES
CN(C)CCN(Cc1ccccc1)c1ccccc1
InChIKey
CHOBRHHOYQKCOU-UHFFFAOYSA-N
Molecular formula
C17H22N2
Average molar mass
254.37 g/mol
Monoisotopic mass
254.17829871

Overview

Phenbenzamine is a liquid. (NTP, 1992)

Names & identifiers

Preferred name
Phenbenzamine
IUPAC
N'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine
English name
Antergan
Molecular formula
C17H22N2
Molecular weight
254.37

Names & synonyms

PHENBENZAMINEAnterganLergitinBridal961-71-7DimetinaPM245PM 2452339 RPRP 2339Ethylenediamine, N-benzyl-N',N'-dimethyl-N-phenyl-733W48NG2Q
Show more names
Fourneau compound-2339RPbenzyl-(2-dimethylaminoethyl)-phenyl-amineN',N'-dimethyl-N-phenyl-N-(phenylmethyl)ethane-1,2-diamine
PM-245DTXSID3043863N,N-DIMETHYL-N'-PHENYL-N'-PHENYLMETHYL-1,2-ETHANEDIAMINERefChem:172649DTXCID1023863N-Benzyl-N',N'-dimethyl-N-phenylethylenediamineN'-benzyl-N,N-dimethyl-N'-phenylethane-1,2-diamine1,2-ETHANEDIAMINE, N1,N1-DIMETHYL-N2-PHENYL-N2-(PHENYLMETHYL)-

Database identifiers

CAS
961-71-7
PubChem CID
13751
DTXSID
DTXSID3043863
ChEMBL
CHEMBL157118
ChEBI
CHEBI:135041
UNII
733W48NG2Q
Nikkaji
J7.194C

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
6.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
19
Formal charge
0
Complexity
227

Experimental & physicochemical properties

Density1.019 (NTP, 1992) - Denser than water; will sink
Boiling Point354 to 356 °F at 7 mmHg (NTP, 1992)
Physical DescriptionPhenbenzamine is a liquid. (NTP, 1992)

Physicochemical properties

Boiling point
387.59 °C · 387.59°C (rough estimate)
Density
1.016 · 1.0160
refractive index
1.5794 · 1.5794
color
Pale-yellow oil
FDA UNII
733 W48NG2Q · 733W48NG2Q
EPA Substance Registry System
Phenbenzamine (961-71-7)
Toxicity
120 mg/kg · LDLo ipr-rat: 120 mg/kg BJPCAL 11,1,56

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Health HazardsACUTE/CHRONIC HAZARDS: Toxic. Hazardous decomposition products. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 item

PHENBENZAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.

Safety & protection

Fire Fighting · 1 item

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 item

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 item

SMALL SPILLS AND LEAKAGE: Dampen spilled material with toluene to avoid dust, then transfer material to a suitable container. Use absorbent paper dampened with toluene to pick up remaining material. Wash surfaces well with soap and water. Seal all waste in vapor-tight plastic bags for eventual disposal.

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 5 items

Agents, usually topical, that relieve itching (pruritus).

Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion.

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

Metabolite PathwaysPhenbenzamine H1-Antihistamine Action

Applications

HistoryIn 1942 phenbenzamine (Antergan), C17H22N2, was the first antihistamine to be successfully used in humans.

General DescriptionLiquid.

Suppliers1 total

Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]

Additional notes

DefinitionChEBI: Phenbenzamine is an aromatic amine.

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Personal Protective Equipment (PPE) · 1 item

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Safety data

Toxicity
LDLo ipr-rat: 120 mg/kg BJPCAL 11,1,56