Basic information
- CAS
16898-52-5- Standard SMILES
C(CC1CCNCC1)CC1CCNCC1- InChIKey
OXEZLYIDQPBCBB-UHFFFAOYSA-N- Molecular formula
- C13H26N2
- Average molar mass
- 210.36 g/mol
- Monoisotopic mass
- 210.20959884
Overview
structure in first source
Names & identifiers
- Preferred name
- 1,3-Bis(4-piperidinyl)propane
- IUPAC
- 4-(3-piperidin-4-ylpropyl)piperidine
- English name
- 1,3-Bis(4-piperidyl)propane
- Molecular formula
- C13H26N2
- Molecular weight
- 210.36
Names & synonyms
1,3-bis(4-piperidinyl)propaneRefChem:50690316898-52-51,3-Bis(4-piperidyl)propane1,3-Di-4-piperidylpropane4,4'-TrimethylenedipiperidinePiperidine, 4,4'-(1,3-propanediyl)bis-1,3-Di(4-Piperidyl)propane1,3-di(piperidin-4-yl)propane4-[3-(piperidin-4-yl)propyl]piperidineDI-PIP4-[3-(4-piperidyl)propyl]piperidine
Show more names
13DPPRPLABOTEST-BB LT004542741,3-di(4-piperidyl)prpane1,3-DI-4-PIPERIDINOPROPANE1,3-Di(4-piperidinyl)propane1,3-Bis(4-piperidino)propane1,3-Bispiperidin-4-ylpropane
Piperidine, 4,4'-trimethylenedi-4-(3-piperidin-4-ylpropyl)piperidineMFCD00038013Maybridge4_0036344,4'-(1,3-Propanediyl)bispiperidine4,3-Propanediyl)bispiperidineEU53EC219IOXEZLYIDQPBCBB-UHFFFAOYSA-
Database identifiers
- CAS
16898-52-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Physical DescriptionOther Solid
Physicochemical properties
- Melting point
- 65 · 65-68.5 °C(lit.)
- Boiling point
- 327 °C · 327°C
- Density
- 0.9578 · 0.9578 (rough estimate)
- vapor pressure
- 0.022 Pa · 0.022Pa at 25℃
- refractive index
- 1.5032 · 1.5032 (estimate)
- Flash point
- 327 °C · 327°C
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.99 · 10.99±0.10(Predicted)
- form
- powder to crystal
- color
- White to Light yellow
- Water Solubility
- almost transparency
- Sensitive
- Hygroscopic
- BRN
- 111615 · 111615
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
Danger
H302 (42%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Piperidine, 4,4'-(1,3-propanediyl)bis-
Piperidine, 4,4'-(1,3-propanediyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine, 4,4'-(1,3-propanediyl)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 4,4'-trimethylenedipiperidine (EC: 240-941-6)
Hazard Classes and CategoriesAcute Tox. 4 (42%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2933399990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Adhesive Manufacturing
Piperidine, 4,4'-(1,3-propanediyl)bis-: ACTIVE
Applications
Uses4,4′-Trimethylenedipiperidine was used in the synthesis of hyperbranched copolymers from commercially available monomers: divinylsulfone, 4,4′-trimethylenedipiperidine and N-ethylenediamine. It was used in the synthesis of two- and three-dimensional cadmium-organic frameworks.
General Description4,4′-Trimethylenedipyridine undergoes Willgerodt-Kindler reaction by on pot- polycondensation with dialdehydes in the presence of sulphur to form polythioamides.
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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