Basic information
- CAS
354563-89-6- Standard SMILES
COc1cc(OC)nc(C(c2ccccc2)N2CCNCC2)n1- InChIKey
BGJADJLMAYMTRR-UHFFFAOYSA-N- Molecular formula
- C17H22N4O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.17427596
Names & identifiers
- Preferred name
- 4,6-Dimethoxy-2-(phenyl(piperazin-1-yl)methyl)pyrimidine
- IUPAC
- 4,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine
- English name
- 2-(AMINOMETHYL)PHENOL
- Molecular formula
- C17H22N4O2
- Molecular weight
- 314.38
Names & synonyms
354563-89-64,6-dimethoxy-2-[phenyl(piperazin-1-yl)methyl]pyrimidine4,6-Dimethoxy-2-(phenyl(piperazin-1-yl)methyl)pyrimidineRefChem:508095814-044-0Peakdale1_001480SCHEMBL2201461SCHEMBL6910079HMS522D064,6-Dimethoxy-2-[phenyl(piperazin-1-yl)methyl]-pyrimidineMFCD01765673AKOS015888784
Show more names
BUTTPARK 18\09-57RARECHEM AL BW 00032-(AMINOMETHYL)PHENOL USP/EP/BPPyrimidine, 4,6-dimethoxy-2-(phenyl-1-piperazinylmethyl)-1-[alpha-(4,6-Dimethoxypyrimidin-2-yl)benzyl]piperazine 95+%
CS-0360238F023778SR-01000384196SR-01000384196-11-[alpha-(4,6-dimethoxypyrimidin-2-yl)benzyl]piperazine4,6-dimethoxy-2-[phenyl(1-piperazinyl)methyl]pyrimidine
Database identifiers
- CAS
354563-89-6- PubChem CID
- 2736216
- EC Number
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 127 · 127-131 °C
- Boiling point
- 463.8 · 463.8±45.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 8.88 · 8.88±0.10(Predicted)
- CAS DataBase Reference
- 354563 · 354563-89-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- Hazard Note
- Irritant
- HS Code
- 2933599590 · 2933599590
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
- hs_code
- 2933599590
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37/39-26
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers4 total
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…