Basic information
- CAS
16015-70-6- Standard SMILES
COc1cccc(N2CCNCC2)c1- InChIKey
PZIBVWUXWNYTNL-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626314
Names & identifiers
- Preferred name
- N-(3-methoxyphenyl)piperazine
- IUPAC
- 1-(3-methoxyphenyl)piperazine
- English name
- 1-(3-Methoxyphenyl)piperazine
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
1-(3-Methoxyphenyl)piperazineN-(3-Methoxyphenyl)piperazinePiperazine, 1-(3-methoxyphenyl)-UNII-6LCP52962G6LCP52962GEINECS 240-154-81,3-MeOPP1-M-ANISYLPIPERAZINEDTXSID70166809PIPERAZINE, 1-(M-METHOXYPHENYL)-RefChem:161971DTXCID5089300
Show more names
LeterMovir-003AKOS BBS-00003611TIMTEC-BB SBB003619RARECHEM AH CK 0127Urapidil Impurity 30Letomovir Impurity 41Letermovir Impurity 15Letermovir Impurity 413-(1-Piperazinyl)anisoleOzefloxacin secondary IV
240-154-8861-977-4PZIBVWUXWNYTNL-UHFFFAOYSA-N16015-71-71-(3-methoxyphenyl)-piperazineMFCD000407333-MeOPPCHEMBL59597
Database identifiers
- CAS
16015-70-6、16015-71-7- PubChem CID
- 81430
- DTXSID
DTXSID70166809- ChEMBL
CHEMBL59597- UNII
- 6LCP52962G
- EC Number
- 240-154-8、861-977-4
- Nikkaji
- J219.938F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 24.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 201 · 201-204°C
- Boiling point
- 150 °C/0.5 · 150 °C/0.5 mmHg (lit.)
- Density
- 1.114 g/mL · 1.114 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5815(lit.)
- Flash point
- 195 °F · 195 °F
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 15 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 10 mg/ml
- pka
- 8.98 · 8.98±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow
- Stability
- Air Sensitive
- InChI
- InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
- InChIKey
- PZIBVWUXWNYTNL-UHFFFAOYSA-N
- SMILES
- N1(C2=CC=CC(OC)=C2)CCNCC1
- CAS DataBase Reference
- 16015 · 16015-71-7(CAS DataBase Reference)
- FDA UNII
- 6 LCP52962G · 6LCP52962G
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and Categories
Skin Corr. 1B (97.6%)
Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3267 8/PG 3
- hs_code
- 29349990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xi
- hazard_note
- Irritant
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
Chemistry & industry
Applications
Description1-(3-Methoxyphenyl)piperazine (Item No. 19273) is an analytical reference standard categorized as a piperazine. This product is intended for research and forensic applications.
Uses1-(3-Methoxyphenyl)piperazine is an inhibitor of the human α1β2γ2 GABAA receptor.
General Description1-(3-Methoxyphenyl)piperazine is a piperazine derivative.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
99 records
Compound notes
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