N-(2-Chloroethyl)dibenzylamine hydrochloride - CAS 55-43-6
Catalog: |
BB029040 |
Product Name: |
N-(2-Chloroethyl)dibenzylamine hydrochloride |
CAS: |
55-43-6 |
Synonyms: |
N,N-dibenzyl-2-chloroethanamine;hydrochloride |
IUPAC Name: | N,N-dibenzyl-2-chloroethanamine;hydrochloride |
Description: | Dibenamine is an irreversible blocker of α1 adrenoceptors. |
Molecular Weight: | 296.23 |
Molecular Formula: | C16H19Cl2N |
Canonical SMILES: | C1=CC=C(C=C1)CN(CCCl)CC2=CC=CC=C2.Cl |
InChI: | 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 |
InChI Key: | LZXCEBPGNFLHEQ-UHFFFAOYSA-N |
Boiling Point: | 320 ℃ at 760 mmHg |
Melting Point: | 192.0 ℃ |
Density: | 1.107 g/cm3 |
Appearance: | White to gray crystals or solid |
MDL: | MFCD00012518 |
LogP: | 4.72960 |
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 |
US-2020131431-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
WO-2020086309-A1 | Chemical additives and surfactant combinations for favorable wettability alteration and improved hydrocarbon recovery factors | 20181026 |
CN-112996785-A | Therapeutic compounds | 20181022 |
KR-20210080474-A | therapeutic compound | 20181022 |
CN-109096128-B | Preparation method of aminopolyethylene glycol propionic acid | 20180112 |
PMID | Publication Date | Title | Journal |
1536 | 19760101 | Synthesis and adrenoreceptor blocking action of aziridinium ions derived from phenoxybenzamine and dibenamine | Journal of medicinal chemistry |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.0894550 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.0894550 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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