Basic information
- CAS
54-77-3- Standard SMILES
C[N+]1(C)CCN(c2ccccc2)CC1.[I-]- InChIKey
XFZJGFIKQCCLGK-UHFFFAOYSA-M- Molecular formula
- C12H19IN2
- Average molar mass
- 318.2 g/mol
- Monoisotopic mass
- 318.0593
Overview
1,1-dimethyl-4-phenylpiperazinium iodide is a quaternary ammonium salt, a N-arylpiperazine, a piperazinium salt and an organic iodide salt. It has a role as a nicotinic acetylcholine receptor agonist.
Names & identifiers
- Preferred name
- 1,1-Dimethyl-4-phenylpiperazinium iodide
- IUPAC
- 1,1-dimethyl-4-phenylpiperazin-1-ium iodide
- English name
- 1,1-DIMETHYL-4-PHENYLPIPERAZINIUM IODIDE
- Molecular formula
- C12H19IN2
- Molecular weight
- 318.2
Names & synonyms
1,1-Dimethyl-4-phenylpiperazinium iodide54-77-3DMPPDMPP iodideDimethylphenylpiperazinium iodideN,N-Dimethyl-N'-phenylpiperazinium iodide1,1-Dimethyl-4-phenylpiperazine iodideX95H7DRX99NSC-89754CHEBI:4290PIPERAZINIUM, 1,1-DIMETHYL-4-PHENYL-, IODIDE1,1 Dimethyl 4 phenylpiperazine Iodide
Show more names
1,1-dimethyl-4-phenylpiperazineiodide1,1-dimethyl-4-phenyl-piperaziniuiodide1-METHYL-4-PHENYLPIPERAZINIUM 1-METHIODIDE1,1-Dimethyl-4-phenylpiperazinium Iodide >1,1-Dimethyl-4-phenylpiperazinium iodide,99%1,1-DIMETHYL-4-PHENYLPIPERAZINIUM IODIDE 99%
RefChem:134372Iodide, DimethylphenylpiperaziniumIodide, 1,1-Dimethyl-4-phenylpiperazine200-213-01,1-dimethyl-4-phenylpiperazin-1-ium1,1-dimethyl-4-phenylpiperazin-1-ium iodide1,1-Dimethyl-4-phenyl-piperazinium iodideDimethyl-4-phenylpiperazium iodide
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 173
Physicochemical properties
- Melting point
- 234 · 234-238 °C(lit.)
- Density
- 1.3965 · 1.3965 (estimate)
- storage temp.
- 20 °C · −20°C
- solubility
- 2 O: · H2O: 21 mg/mL
- form
- powder
- color
- white
- Water Solubility
- 2 O: · H2O: 21mg/mL
- BRN
- 3746109 · 3746109
- InChI
- 1S/C12H19N2.HI/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12;/h3-7H,8-11H2,1-2H3;1H/q+1;/p-1
- InChIKey
- XFZJGFIKQCCLGK-UHFFFAOYSA-M
- SMILES
- [I-].C[N+]1(C)CCN(CC1)c2ccccc2
- CAS DataBase Reference
- 54 · 54-77-3(CAS DataBase Reference)
- FDA UNII
- 95 H7DRX99 · X95H7DRX99
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Warning
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
Warning
H315 (97.4%): Causes skin irritation [Warning Skin corrosion/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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- rtecs
- TM3385000
- ridadr
- 2811
- hs_code
- 29335995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H301+H311+H331-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P403+P233-P405-P501
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that mimic neural transmission by stimulation of the nicotinic receptors on postganglionic autonomic neurons. Drugs that indirectly augment ganglionic transmission by increasing the release or slowing the breakdown of acetylcholine or by non-nicotinic effects on postganglionic neurons are not included here nor are the nonspecific cholinergic agonists.
Drugs that bind to and activate nicotinic cholinergic receptors (RECEPTORS, NICOTINIC). Nicotinic agonists act at postganglionic nicotinic receptors, at neuroeffector junctions in the peripheral nervous system, and at nicotinic receptors in the central nervous system. Agents that function as neuromuscular depolarizing blocking agents are included here because they activate nicotinic receptors, although they are used clinically to block nicotinic transmission.
Applications
Uses1,1-Dimethyl-4-phenylpiperazinium iodide is nicotinic acetylcholine receptor agonist. Nitrification inhibitor that can potentially increase fertilizer N use efficiency (NUE).
Suppliers45 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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