Piperidinocarbonitrile
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Basic information
- CAS
1530-87-6- Standard SMILES
N#CN1CCCCC1- InChIKey
NVPICXQHSYQKGM-UHFFFAOYSA-N- Molecular formula
- C6H10N2
- Average molar mass
- 110.16 g/mol
- Monoisotopic mass
- 110.08439832
Names & identifiers
- Preferred name
- Piperidinocarbonitrile
- IUPAC
- piperidine-1-carbonitrile
- English name
- 1-Piperidinecarbonitrile
- Molecular formula
- C6H10N2
- Molecular weight
- 110.16
Names & synonyms
1-Piperidinecarbonitrilepiperidine-1-carbonitrilePiperidinocarbonitrileNSC 26965EINECS 216-233-8DTXSID30165191RefChem:863605DTXCID2087682216-233-8InChI=1/C6H10N2/c7-6-8-4-2-1-3-5-8/h1-5H1530-87-61-Cyanopiperidine
Show more names
PIPERIDINO-N-CARBONITRILE1-Piperidinecarbonitrile 99%1-Piperidinecarbonitrile,97%
N-cyanopiperidinePentamethylenecyanamideMFCD00006477GJF9R7G247NSC-26965cyanopiperidinePiperidine, 1-carbonitrile-cyano-piperidine
Database identifiers
- CAS
1530-87-6- PubChem CID
- 73736
- DTXSID
DTXSID30165191- ChEMBL
CHEMBL3352955- UNII
- GJF9R7G247
- EC Number
- 216-233-8
- Nikkaji
- J206.748J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 102 °C10 · 102 °C10 mm Hg(lit.)
- Density
- 0.951 g/mL · 0.951 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.47(lit.)
- Flash point
- 207 °F · 207 °F
- pka
- -4.3 · -4.30±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- λmax
- 214 nm · 214nm(MeOH)(lit.)
- InChI
- 1S/C6H10N2/c7-6-8-4-2-1-3-5-8/h1-5H2
- InChIKey
- NVPICXQHSYQKGM-UHFFFAOYSA-N
- SMILES
- N#CN1CCCCC1
- FDA UNII
- 9 R7G247 · GJF9R7G247
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29333999
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Limited Quantities
Chemistry & industry
Applications
Uses1-Piperidinecarbonitrile was used in the preparation of 1-selenocarbamoylpiperidine.
General Description1-Piperidinecarbonitrile in tetrahydrofuran (THF) reacts with a solution of piperidyl lithium in THF at 0°C to yield lithium[1,1,3,3-bis(pentamethylene)guanidinate]. It participates in thermal decomposition of the 2H-azaphosphirene metal complexes to yield the Δ3-1,3,2-oxazaphospholene complexes and the Δ3-1,3,2-thiazaphospholene complexes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
17 records
Compound notes
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