CAS 55-43-6 Dibenamine hydrochloride (HCID 5925)

Names & identifiers

Preferred name: Dibenamine hydrochloride
IUPAC: N,N-dibenzyl-2-chloroethanamine;hydrochloride
English name: N-(2-CHLOROETHYL)DIBENZYLAMINE HYDROCHLORIDE
Molecular formula: C16H19Cl2N
Molecular weight: 296.23

Names & synonyms

55-43-6Dibenamine hydrochlorideN-(2-Chloroethyl)dibenzylamine hydrochlorideDibenzylchlorethamine hydrochlorideN,N-Dibenzyl-2-chloroethylamine hydrochlorideDibenamine HClN,N-Dibenzylaminoethyl chloride hydrochlorideDibenzylchlorethylamine hydrochloride2-Chloroethyldibenzylamine hydrochlorideDibenzyl(2-chloroethyl)ammonium chloride2-Dibenzylaminoethyl chloride hydrochlorideEINECS 200-234-5

Show more names

Sympatholytin hydrochlorideN-(2-CHLOROETHYL)DIBENZYLAMINE HCLn,n-dibenzyl-2-chloroethylamineHCldibenzylchlorethylaminehydrochlorideDibenamine hydrochloride, 10 mM in DMSOn-(2-chloroethyl)-dibenzylaminhydrochlorideN,N-DIBENZYLAMINOETHYLCHLORIDE HYDROCHLORIDE

NSC 11491beta-Chloroethyldibenzylamine hydrochlorideBenzenemethanamine, N-(2-chloroethyl)-N-(phenylmethyl)-, hydrochlorideDIBENZYLAMINE, N-(2-CHLOROETHYL)-, HYDROCHLORIDEN,N-Dibenzyl-beta-chloroethylamine hydrochlorideNSC-11491W65S0F7870(2-Chloroethyl)dibenzylamine hydrochloride

Database identifiers

CAS: 55-43-6
PubChem CID: 5925
DTXSID: DTXSID3075337
ChEMBL: CHEMBL3272451
UNII: W65S0F7870
EC Number: 200-234-5

Properties

Computed structural properties

Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 187

Physicochemical properties

Melting point: 190 · 190-193 °C(lit.)
Boiling point: 449.72 °C · 449.72°C (rough estimate)
Density: 1.1507 · 1.1507 (rough estimate)
refractive index: 1.63 · 1.6300 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: almost transparency in Methanol
form: Crystalline Powder
color: White to off-white
Merck: 14 · 14,2138
InChI: 1S/C16H18ClN.ClH/c17-11-12-18(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16;/h1-10H,11-14H2;1H
InChIKey: LZXCEBPGNFLHEQ-UHFFFAOYSA-N
SMILES: Cl.ClCCN(Cc1ccccc1)Cc2ccccc2
CAS DataBase Reference: 55 · 55-43-6(CAS DataBase Reference)
FDA UNII: 65 S0F7870 · W65S0F7870
EPA Substance Registry System: N-(2-Chloroethyl)dibenzylamine hydrochloride (55-43-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 6825000 · HQ6825000
HazardClass: IRRITANT
HS Code: 29214900 · 29214900
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Toxicity: 50 s.c · LD50 s.c. in mice: 800 mg/kg (Nickerson, Nomaguchi)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.5%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
rtecs: HQ6825000
hs_code: 29214900
Toxicity: LD50 s.c. in mice: 800 mg/kg (Nickerson, Nomaguchi)
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 2 items

UsesSympatholytin was used as 5-Hydroxytryptamine antagonists in this study.Sympatholytin preferentially blocked postsynaptic alpha receptors.

General DescriptionN-(2-Chloroethyl)dibenzylamine hydrochloride is also referred as dibenamine. Mechanism of protection against carbon tetrachloride-induced hepatotoxicity produced by pretreatment with [N-(2-chloroethyl) dibenzylamine] hydrochloride has been investigated. It is a powerful adrenergic blocking agent, is known to modify the pharmacological effects of epinephrine.