Basic information
- CAS
111668-00-9- Standard SMILES
C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1- InChIKey
XCVMKCYUNNAQAM-UHFFFAOYSA-N- Molecular formula
- C15H25N7
- Average molar mass
- 303.41 g/mol
- Monoisotopic mass
- 303.21714383
Names & identifiers
- Preferred name
- 2-(Piperazin-1-yl)-4,6-di(pyrrolidin-1-yl)-1,3,5-triazine
- IUPAC
- 2-piperazin-1-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
- English name
- 2-Piperazin-1-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazine
- Molecular formula
- C15H25N7
- Molecular weight
- 303.41
Names & synonyms
111668-00-92-(piperazin-1-yl)-4,6-di(pyrrolidin-1-yl)-1,3,5-triazine2-piperazin-1-yl-4,6-dipyrrolidin-1-yl-1,3,5-triazineCHEMBL14032572-(piperazin-1-yl)-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazineXCVMKCYUNNAQAM-UHFFFAOYSA-NC15H25N7BAS 03602647SMR000012474Oprea1_495671Oprea1_735787MLS000029924
Show more names
1-(PIPERAZIN-1-YL)-3,5-DI-(PYROLLIDIN-1-YL)-TRIAZINE1,3,5-Triazine, 2-(1-piperazinyl)-4,6-di-1-pyrrolidinyl-
SCHEMBL8542091SCHEMBL9224600DTXSID00349486HMS1674B18HMS2189O09BBL034861BDBM50419460MFCD03043090
Database identifiers
- CAS
111668-00-9- PubChem CID
- 649745
- DTXSID
DTXSID00349486- ChEMBL
CHEMBL1403257
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 516.1 · 516.1±60.0 °C(Predicted)
- Density
- 1.231 · 1.231±0.06 g/cm3(Predicted)
- pka
- 8.71 · 8.71±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers4 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
Clearsynth Labs Limited+91-22-26355700 · [email protected]
Related reactions
2 records
Compound notes
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