4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
Basic information
- CAS
387350-76-7- Standard SMILES
COc1cc(OC)nc(CN2CCNCC2)n1- InChIKey
RZNQZUBONDNTBD-UHFFFAOYSA-N- Molecular formula
- C11H18N4O2
- Average molar mass
- 238.29 g/mol
- Monoisotopic mass
- 238.14297583
Names & identifiers
- Preferred name
- 4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
- IUPAC
- 4,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
- English name
- 3-(Aminomethyl)phenol
- Molecular formula
- C11H18N4O2
- Molecular weight
- 238.29
Names & synonyms
387350-76-74,6-dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine4,6-dimethoxy-2-(1-piperazinylmethyl)pyrimidineDTXSID60371208RefChem:508096DTXCID30322242813-362-74,6-Dimethoxy-2-[(piperazin-1-yl)methyl]pyrimidine1-[(4,6-dimethoxypyrimidin-2-yl)methyl]piperazineMFCD01765698Peakdale1_001574HMS522H12
Show more names
AKOS BB-4932RARECHEM AL BW 01653-HYDROXYBENZYLAMINEm-Hydroxybenzylamine3-(Aminomethyl)phenolPyrimidine, 4,6-dimethoxy-2-(1-piperazinylmethyl)-4,6-Dimethoxy-2-[(piperazin-1-yl)methyl]pyrimidine 95+%1-[(4,6-Dimethoxypyrimidin-2-yl)methyl]piperazine, 4,6-Dimethoxy-2-[(piperazin-1-yl)methyl]-1,3-diazine
A824255SCHEMBL2202680SCHEMBL3954742SBB098954AKOS015852161PS-7614DB-013224CS-0366517
Database identifiers
- CAS
387350-76-7- PubChem CID
- 2736218
- DTXSID
DTXSID60371208- EC Number
- 813-362-7
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 165 · 165-168°C
- Boiling point
- 371.3 · 371.3±42.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.10(Predicted)
- form
- oil
- color
- Pale yellow
- InChI
- 1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h1-4,9H,5,8H2
- InChIKey
- JNZYADHPGVZMQK-UHFFFAOYSA-N
- SMILES
- NCc1cccc(O)c1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xn
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933599590
- risk_code
- 20/21/22-36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses3-Hydroxybenzylamine, is an intermediate for the synthesis of 1,4-Dihydro-7-hydroxy-3(2H)-isoquinolinone (D449935). It cna also be used for the preparation of the 7-hydroxy benzimidazole analogs glycogen synthase kinase 3β (GSK3β) inhibitor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…