1-Piperazinecarboxaldehyde
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Basic information
- CAS
7755-92-2- Standard SMILES
O=CN1CCNCC1- InChIKey
MSSDTZLYNMFTKN-UHFFFAOYSA-N- Molecular formula
- C5H10N2O
- Average molar mass
- 114.15 g/mol
- Monoisotopic mass
- 114.07931294
Overview
1-piperazinecarboxaldehyde is a member of the class of piperazine-1-carbaldehydes that is piperazine substituted by a formyl group at position 1.
Names & identifiers
- Preferred name
- 1-Piperazinecarboxaldehyde
- IUPAC
- piperazine-1-carbaldehyde
- English name
- 1-Piperazinecarbaldehyde
- Molecular formula
- C5H10N2O
- Molecular weight
- 114.15
Names & synonyms
1-Formylpiperazine7755-92-21-PiperazinecarboxaldehydeDTXSID1064790EINECS 231-813-0NSC 511082RefChem:77020DTXCID8047977MSSDTZLYNMFTKN-UHFFFAOYSA-NPiperazine-1-carbaldehyde1-PiperazinecarbaldehydeFormylpiperazine
Show more names
1-FormylpiperazinN-FORMY PIPERAZINE1-Formylpiperazine>LABOTEST-BB LT002331971-Formylpiperazine,98%
N-FormylpiperazinePiperazine-1-carboxaldehydel-formylpiperazinepiperazin-1-yl-methanoneMFCD000059631-Piperazinecarbaldehyde #piperazinecarbaldehydeF0194
Database identifiers
- CAS
7755-92-2- PubChem CID
- 82191
- DTXSID
DTXSID1064790- ChEBI
CHEBI:151031- EC Number
- 231-813-0
- Nikkaji
- J254B
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.5
Physicochemical properties
- Melting point
- 88 · 88-91
- Boiling point
- 264 · 264-266 °C
- Density
- 1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.512
- Flash point
- 215 °F · 215 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- pka
- 8.58 · 8.58±0.10(Predicted)
- Specific Gravity
- 1.107 · 1.107
- color
- Clear colorless to yellow
- Sensitive
- Air Sensitive
- BRN
- 110295 · 110295
- InChI
- 1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
- InChIKey
- MSSDTZLYNMFTKN-UHFFFAOYSA-N
- SMILES
- [H]C(=O)N1CCNCC1
- CAS DataBase Reference
- 7755 · 7755-92-2(CAS DataBase Reference)
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
This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.
Danger
H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (87.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29335990
- risk_code
- 22-37/38-41-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperazinecarboxaldehyde: ACTIVE
Applications
Uses1-Formylpiperazine is sutable for use as a test compound in the kinetic study of the reaction of 4-nitrophenyl 2-thiophenecarboxylate with secondary alicyclic amines.
General Description1-Formylpiperazine, a secondary alicyclic amine is a piperazine derivative. Its synthesis has been reported. The kinetics of its reaction with O-aryl S-aryl dithiocarbonates has been studied. The IR and Raman spectra of 1-formylpiperazine have been investigated.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
169 records
Compound notes
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