Basic information
- CAS
63-56-9- Standard SMILES
COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.Cl- InChIKey
HRYJPHOTGFERGT-UHFFFAOYSA-N- Molecular formula
- C16H22N4O.ClH
- Average molar mass
- 322.83 g/mol
- Monoisotopic mass
- 322.1560391
Overview
Thonzylamine hydrochloride is a white crystalline powder with a faint odor. pH: 5.1-5.7 (2 % aqueous solution). (NTP, 1992)
Names & identifiers
- Preferred name
- Thonzylamine Hydrochloride
- IUPAC
- N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine;hydrochloride
- English name
- thonzylamine hydrochloride
- Molecular formula
- C16H22N4O.ClH
- Molecular weight
- 322.84
Names & synonyms
THONZYLAMINE HYDROCHLORIDE63-56-9Thonzylamine HClAnahistNovohetraminResistabNeohetramine hydrochlorideThonzylaminium chlorideThonzylamine hydrochloride [USAN]CCRIS 6277DTXSID8026147EINECS 200-561-3
Show more names
Thonzylamine HCl 98%Thonzilamine hydrochloridethonzylamine hydrochloride ISO 9001：2015 REACH
NH 188NSC-7583886K9YKD48Y42-((2-(Dimethylamino)ethyl)(p-methoxybenzyl)amino)pyrimidine hydrochloride2-[(2-dimethylaminoethyl)(p-methoxybenzyl)amino]pyrimidine hydrochlorideDTXCID8061472-((2-(Dimethylamino)ethyl)(p-methoxy-benzyl)amino)-pyrimidine hydrochlorideN,N-Dimethyl-N'-(4-methoxybenzyl)-N'-(2-pyrimidyl)ethylenediamine hydrochloride
Database identifiers
- CAS
63-56-9- PubChem CID
- 6136
- DTXSID
DTXSID8026147- ChEMBL
CHEMBL1529802- ChEBI
CHEBI:32219- UNII
- 6K9YKD48Y4
Properties
Computed structural properties
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 273
Experimental & physicochemical properties
SolubilityVery soluble (NTP, 1992)
Melting Point343 to 349 °F (NTP, 1992)
Physical DescriptionThonzylamine hydrochloride is a white crystalline powder with a faint odor. pH: 5.1-5.7 (2 % aqueous solution). (NTP, 1992)
Collision Cross Section167.3 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 173 · 173-176°
- Boiling point
- 2.2 · bp2.2 185-187°
- Density
- 1.2562 · 1.2562 (rough estimate)
- refractive index
- 1.58 · 1.5800 (estimate)
- Stability
- Stable. Incompatible with strong oxidizing agents.
- FDA 21 CFR
- 341.12 · 341.12
- FDA UNII
- 6 K9YKD48Y4 · 6K9YKD48Y4
- EPA Substance Registry System
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P280, P301+P316, P302+P352, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1,2-Ethanediamine, N-[(4-methoxyphenyl)methyl]-N',N'-dimethyl-N-2-pyrimidinyl-, monohydrochloride: Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health Hazards
SYMPTOMS: Symptoms of exposure to this compound may include drowsiness, lethargy, fatigue, hypnosis, coma, vertigo, ataxia, tinnitus, blurred vision, tremors, anxiety, insomnia, excitement, hallucinations, delirium, convulsions, dry mouth, anorexia, nausea, vomiting, abdominal distress, constipation, diarrhea, central nervous system depression, gastrointestinal reactions, respiratory arrest and circulatory collapse. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile
Chemistry & industry
Applications
UsesMedicine (antihistamine).
General DescriptionThonzylamine hydrochloride,2-[[2-(dimethylamino)-ethyl](p-methoxybenzyl)amino]pyrimidine hydrochloride, is a white crystallinepowder soluble in water (1:1), in alcohol (1:6), and in chloroform(1:4). A 2% aqueous solution has a pH of 5.5. It is similar in activity to tripelennamine but is claimed to be lesstoxic. The usual dose is 50 mg taken up to 4 times daily. Itis available in certain combination products.
General DescriptionWhite crystalline powder with a faint odor . pH: 5.1-5.7 (2 % aqueous solution).
Upstream & downstream products
Upstream raw materials
Suppliers30 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海景颜化工科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…