Basic information
- CAS
18136-00-0- Standard SMILES
N#CCCN1CCC(CCCC2CCN(CCC#N)CC2)CC1- InChIKey
CUFGCSGPBRYOBH-UHFFFAOYSA-N- Molecular formula
- C19H32N4
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.26269704
Names & identifiers
- Preferred name
- 1-Piperidinepropanenitrile, 4,4'-(1,3-propanediyl)bis-
- IUPAC
- 3-[4-[3-[1-(2-cyanoethyl)piperidin-4-yl]propyl]piperidin-1-yl]propanenitrile
- English name
- 4,4'-TRIMETHYLENE-BIS(PIPERIDINOPROPIONITRILE)
- Molecular formula
- C19H32N4
- Molecular weight
- 316.48
Names & synonyms
18136-00-01-Piperidinepropanenitrile, 4,4'-(1,3-propanediyl)bis-EINECS 242-022-5DTXSID60663154,4'-Trimethylenedi(piperidine-1-propiononitrile)RefChem:435843DTXCID4035752242-022-53-[4-[3-[1-(2-cyanoethyl)piperidin-4-yl]propyl]piperidin-1-yl]propanenitrile3-(4-{3-[1-(2-CYANOETHYL)PIPERIDIN-4-YL]PROPYL}PIPERIDIN-1-YL)PROPANENITRILE3-(4-{3-[1-(2-cyanoethyl)-4-piperidyl]propyl}piperidyl)propanenitrileC19H32N4
Show more names
LABOTEST-BB LT001600434,4’-trimethylenedi-1-piperidinepropionitril4,4'-TRIMETHYLENE-BIS(PIPERIDINOPROPIONITRILE)4,4'-TRIMETHYLENEBIS(1-PIPERIDINEPROPIONITRILE)4,4'-Trimethylenebis(1-piperidinepropanenitrile)
ICCB1_000121SCHEMBL4387600CUFGCSGPBRYOBH-UHFFFAOYSA-NMFCD00075307SBB057344AKOS024307428NS00025968ST50319585
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 71 · 71-73°
- Density
- 0.988 · 0.988
- Flash point
- 210 · 210º
- EPA Substance Registry System
- 1 · 1-Piperidinepropanenitrile, 4,4'-(1,3-propanediyl)bis- (18136-00-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302-H312-H315-H332-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- RIDADR
- 3439 · UN3439
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
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 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.4%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN3439
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H319-H302-H312-H315-H332-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperidinepropanenitrile, 4,4'-(1,3-propanediyl)bis-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers4 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
ORGANICA+49 3494636389 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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