[1,4'-Bipiperidine]-4'-carboxamide
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Basic information
- CAS
39633-82-4- Standard SMILES
NC(=O)C1(N2CCCCC2)CCNCC1- InChIKey
AUXZEVXPRCVGAO-UHFFFAOYSA-N- Molecular formula
- C11H21N3O
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.1684623
Names & identifiers
- Preferred name
- [1,4'-Bipiperidine]-4'-carboxamide
- IUPAC
- 4-piperidin-1-ylpiperidine-4-carboxamide
- English name
- (1,4'-Bipiperidine)-4'-carboxamide
- Molecular formula
- C11H21N3O
- Molecular weight
- 211.3
Names & synonyms
39633-82-4[1,4'-Bipiperidine]-4'-carboxamide(1,4'-Bipiperidine)-4'-carboxamide1,4'-Bipiperidinyl-4'-carboxamide5JKN1A3T8ANSC 760444-Carbamoyl-4-(1-piperidinyl)piperidineEINECS 254-548-24-(1-Piperidinyl)-4-(aminocarbonyl)piperidineNSC-76044UNII-5JKN1A3T8ADTXSID30192740
Show more names
4-piperidinoisonipecotamide[1,4'-Bipiperidine]-4-carboxamide1,4'-Bipiperidine]-4'- carboxamide(1,4 '- Dipiperidine) -4' - Formamide4-(1-piperidyl)piperidine-4-carboxamide4-(1-piperidyl)-4-piperidinecarboxamide
4-CARBAMOYL-4-PIPERIDINOPIPERIDINERefChem:68096DTXCID70115231254-548-2AUXZEVXPRCVGAO-UHFFFAOYSA-N1,4'-bipiperidine-4'-carboxamide[1,4']Bipiperidinyl-4'-carboxylic acid amide4-piperidin-1-ylpiperidine-4-carboxamide
Database identifiers
- CAS
39633-82-4- PubChem CID
- 96486
- DTXSID
DTXSID30192740- UNII
- 5JKN1A3T8A
- EC Number
- 254-548-2
- Nikkaji
- J23.949F
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 230
Physicochemical properties
- Melting point
- 129 · 129-132 °C
- Boiling point
- 351 °C · 351°C (rough estimate)
- Density
- 1.0221 · 1.0221 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 16.23 · 16.23±0.20(Predicted)
- color
- White
- CAS DataBase Reference
- 39633 · 39633-82-4(CAS DataBase Reference)
- FDA UNII
- 5 JKN1A3T8A · 5JKN1A3T8A
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 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 (100%)
Safety data
- hs_code
- 2933998090
- risk_code
- 34-22-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C,Xn
- safety_code
- 45-36/37/39-26-36
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501
Chemistry & industry
Applications
UsesPiritramide intermediate.
Related reactions
4 records
Compound notes
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