Basic information
- Standard SMILES
CC(=O)/C=C(/C)N- InChIKey
OSLAYKKXCYSJSF-ARJAWSKDSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Names & identifiers
- Preferred name
- (3Z)-4-Amino-3-penten-2-one
- IUPAC
- (Z)-4-aminopent-3-en-2-one
- English name
- 4-Amino-3-penten-2-one
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
23652-84-8(3Z)-4-amino-3-penten-2-oneDTXSID801310080RefChem:1050348DTXCID9017399384-aminopent-3-en-2-one(Z)-4-aminopent-3-en-2-one1118-66-7Acetylacetonamine(3Z)-4-aminopent-3-en-2-one(Z)-4-amino-pent-3-en-2-one3-Penten-2-one, 4-amino-, (3Z)-
Show more names
FLUORAL-PFluoral-P,98%Fluoral-P ACETYLACETONE IMINETIMTEC-BB SBB0079454-AMINO-3-PENTEN-2-ONE3-Penten-2-one,4-amino-4-Aminopent-3-en-2-one 98%
NSC445003-Penten-2-one, 4-amino-CS-0095595CS-0369638EN300-17013Q27122715Z56858245Acetylace
Database identifiers
- CAS
1118-66-7、23652-84-8- PubChem CID
- 5355751
- DTXSID
DTXSID801310080- ChEBI
CHEBI:51692- Nikkaji
- J132.801H、J339.220A
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Melting point
- 38 °C · 38 °C
- Boiling point
- 130 · 130-131 °C
- Density
- 1.0343 · 1.0343 (rough estimate)
- refractive index
- 1.437 · 1.4370 (estimate)
- Flash point
- 209 · 209-213°C
- storage temp.
- 2 · 2-8°C
- pka
- 5.93 · 5.93±0.70(Predicted)
- form
- powder to crystal
- color
- White to Orange to Green
- Water Solubility
- Insoluble
- BRN
- 1209344 · 1209344
- InChI
- 1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3
- InChIKey
- OSLAYKKXCYSJSF-UHFFFAOYSA-N
- SMILES
- CC(N)=CC(C)=O
- CAS DataBase Reference
- 1118 · 1118-66-7(CAS DataBase Reference)
- FDA UNII
- 3 D6PC4RJF · E3D6PC4RJF
- NIST Chemistry Reference
- 3 · 3-Penten-2-one, 4-amino-(1118-66-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 36 · 36/37/39-26-22
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29223990 · 29223990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29223990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 36/37/39-26-22
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Additional notes
DefinitionChEBI: 4-aminopent-3-en-2-one is an enaminone.
Related reactions
3 records
Linked notes
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