Basic information
- 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 properties
- 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)
- NIST Chemistry Reference
- 1 · 1-Piperazinecarboxaldehyde(7755-92-2)
- EPA Substance Registry System
- 1 · 1-Piperazinecarboxaldehyde (7755-92-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 22 · 22-37/38-41-36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 2 · 2
- TSCA
- TSCA listed
- HS Code
- 29335990 · 29335990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
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
- Precautionary statements
- P261-P280-P305+P351+P338
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
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Additional notes
DefinitionChEBI: 1-Piperazinecarboxaldehyde is a member of phytanoyl-CoAs.
Related reactions
169 records
Linked notes
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