2,2,6,6-Tetramethylpiperidin-4-yl heptanoate

HCID 16079014
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Substructure searchFind similar structures

Basic information

CAS
849461-91-2
Standard SMILES
CCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1.Cl
InChIKey
XIDDVJIJIFWGIX-UHFFFAOYSA-N
Molecular formula
C16H32ClNO2
Average molar mass
305.9 g/mol
Monoisotopic mass
305.21215694

Overview

structure in first source

Names & identifiers

Preferred name
2,2,6,6-Tetramethylpiperidin-4-yl heptanoate
IUPAC
(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate;hydrochloride
English name
TMPH hydrochloride
Molecular formula
C16H32ClNO2
Molecular weight
305.89

Names & synonyms

DTXSID401017551TMPH cpdRefChem:898523DTXCID9014757382,2,6,6-tetramethylpiperidin-4-yl heptanoateTMPH hydrochloride849461-91-2TMPH (hydrochloride)2,2,6,6-Tetramethylpiperidin-4-yl heptanoate hydrochloridenAChR-IN-1 (hydrochloride)(2,2,6,6-tetramethylpiperidin-4-yl) heptanoate;hydrochlorideHeptanoic acid, 2,2,6,6-tetramethyl-4-piperidinyl ester, hydrochloride
Show more names
TMPH HClTMPH hydrochloride solid, (Product is pure based on CHN, NMR and MS results)
nAChR-IN-1 hydrochlorideorb1703973XIDDVJIJIFWGIX-UHFFFAOYSA-NEX-A6731ZIB46191Tox21_5007212,2,6,6-Tetramethyl-4-piperidinyl heptanoate hydrochloride (1:1)AKOS024457099

Database identifiers

CAS
849461-91-2
PubChem CID
16079014
DTXSID
DTXSID401017551
EC Number
635-895-2

Properties

Computed structural properties

Topological polar surface area
38.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
20

Physicochemical properties

storage temp.
2 · 2-8°C
solubility
2 O: · H2O: 22 mg/mL at ~60 °C
form
solid
color
white
Water Solubility
2 O: · H2O: 22mg/mL at~60°C
InChI
1S/C16H31NO2.ClH/c1-6-7-8-9-10-14(18)19-13-11-15(2,3)17-16(4,5)12-13;/h13,17H,6-12H2,1-5H3;1H

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
wgk
3
risk_code
36/37/38-43
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 1 item

Drugs that bind to nicotinic cholinergic receptors (RECEPTORS, NICOTINIC) and block the actions of acetylcholine or cholinergic agonists. Nicotinic antagonists block synaptic transmission at autonomic ganglia, the skeletal neuromuscular junction, and at central nervous system nicotinic synapses.

Applications

UsesTMPH Hydrochloride is a potent inhibitor of neuronal AChRs. Therapeutic agent potentially used for the treatment of this progressive neurodegenerative disease such as globoid cell leukodystrophy (GLD) or Krabbe disease.

Suppliers10 total

苏州景皓生物科技有限公司18136139868; 18136139868
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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