1,3-Dipiperidinourea
Basic information
- CAS
14631-68-6- Standard SMILES
O=C(NN1CCCCC1)NN1CCCCC1- InChIKey
MTQTYGHVBJMNPG-UHFFFAOYSA-N- Molecular formula
- C11H22N4O
- Average molar mass
- 226.32 g/mol
- Monoisotopic mass
- 226.17936134
Names & identifiers
- Preferred name
- 1,3-Dipiperidinourea
- IUPAC
- 1,3-di(piperidin-1-yl)urea
- English name
- 1,3-dipiperidinourea
- Molecular formula
- C11H22N4O
- Molecular weight
- 226.31858
Names & synonyms
1,3-Dipiperidinourea14631-68-6EINECS 238-674-5N,N'-Di-1-piperidinylureaDTXSID90163355NSC 343230RefChem:414984DTXCID8085846238-674-51,3-di(piperidin-1-yl)ureaMLS003170990MST4R32S32
Show more names
1,3-Bis(1-piperidinyl)urea
NSC-343230NSC343230UNII-MST4R32S32Urea,n,n-di-1-piperidinyl-N,N'-Di(piperidin-1-yl)ureaCHEMBL3187358SCHEMBL21798768Urea, N,N'-di-1-piperidinyl-
Database identifiers
- CAS
14631-68-6- PubChem CID
- 84566
- DTXSID
DTXSID90163355- ChEMBL
CHEMBL3187358- UNII
- MST4R32S32
- EC Number
- 238-674-5
- Nikkaji
- J241.333G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- pka
- 11.51 · 11.51±0.20(Predicted)
- FDA UNII
- 4 R32S32 · MST4R32S32
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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