1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine

HCID 104095

Notes Reactions

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Basic information

CAS: 52146-35-7
Standard SMILES: COc1cc(CN2CCNCC2)cc(OC)c1OC
InChIKey: OVEVYSWOILUFMF-UHFFFAOYSA-N
Molecular formula: C14H22N2O3
Average molar mass: 266.34 g/mol
Monoisotopic mass: 266.16304256

Names & identifiers

Preferred name: 1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine
IUPAC: 1-[(3,4,5-trimethoxyphenyl)methyl]piperazine
English name: 1-(3,4,5-TRIMETHOXY-BENZYL)-PIPERAZINE
Molecular formula: C14H22N2O3
Molecular weight: 266.34

Names & synonyms

1-(3,4,5-Trimethoxybenzyl)piperazine52146-35-71-[(3,4,5-trimethoxyphenyl)methyl]piperazinePiperazine, 1-[(3,4,5-trimethoxyphenyl)methyl]-323LI0RD6L1-((3,4,5-Trimethoxyphenyl)methyl)piperazineEINECS 257-689-8N-(3,4,5-Trimethoxybenzyl)piperazineUNII-323LI0RD6LDTXSID10966502Piperazine, 1-((3,4,5-trimethoxyphenyl)methyl)-TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY A [EP IMPURITY]

Show more names

AKOS B003997CHEMPER 4501010ART-CHEM-BB B003997TIMTEC-BB SBB009228TriMetazidine EP IMpurity-ATrimetazidine Impurity A HClTrimetazidine Impurity A DiHCl

TRIMETAZIDINE DIHYDROCHLORIDE IMPURITY A (EP IMPURITY)RefChem:73839DTXCID201394137257-689-8Trimetazidine EP Impurity A1-(3,4,5-Trimethoxy-benzyl)-piperazineTrimetazidine Impurity A1-[(3,4,5-Trimethoxyphenyl)methyl]piperazine; N-(3,4,5-Trimethoxybenzyl)piperazine;

Database identifiers

CAS: 52146-35-7
PubChem CID: 104095
DTXSID: DTXSID10966502
ChEMBL: CHEMBL1621234
UNII: 323LI0RD6L
EC Number: 257-689-8
Nikkaji: J279.461F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 43 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 245

Physicochemical properties

Melting point: 102 · 102 - 104°C
storage temp.: -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
solubility: Ethyl Acetate (Slightly), Methanol (Slightly)
form: Solid
color: White to Off-White
Stability: Hygroscopic
InChI: 1S/C14H22N2O3.ClH/c1-17-12-8-11(9-13(18-2)14(12)19-3)10-16-6-4-15-5-7-16;/h8-9,15H,4-7,10H2,1-3H3;1H
InChIKey: KQVXQLNBEHFJNR-UHFFFAOYSA-N
SMILES: Cl.COc1cc(CN2CCNCC2)cc(OC)c1OC
FDA UNII: 323 LI0RD6L · 323LI0RD6L
UNSPSC Code: 12352100 · 12352100
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Storage Class: 11 - Combustible Solids

Chemistry & industry

Applications

Uses1-(3,4,5-Trimethoxybenzyl)piperazine is an impurity of Trimetazidine (T795610). Trimetazidine impurity A.

Suppliers57 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

怀化元研达生物技术有限责任公司18711085600 · [email protected]

Related reactions

37 records

New reaction record

HRID 90127As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 106921As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 109853As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 144584As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 173567As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 174939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 183065As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 304862As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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