Basic information
- CAS
89532-09-2- Standard SMILES
CC(CCC(=O)O)=NNC(N)=O- InChIKey
FMVMFABHHLRSFT-UHFFFAOYSA-N- Molecular formula
- C6H11N3O3
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.08004122
Names & identifiers
- Preferred name
- Levulinic acid semicarbazone
- IUPAC
- 4-(carbamoylhydrazinylidene)pentanoic acid
- English name
- Levulinic acid semicarbazone
- Molecular formula
- C6H11N3O3
- Molecular weight
- 173.17
Names & synonyms
89532-09-2Levulinic acid semicarbazoneDTXSID10282037RefChem:351147DTXCID20233191654-644-84-(carbamoylhydrazinylidene)pentanoic acidAKOS024319070DB-0571384-(2-carbamoylhydrazinylidene)pentanoic acidNsc23932FMVMFABHHLRSFT-YWEYNIOJSA-N
Show more names
Levulinicacidsemicarbazone,98+%4-[(carbamoylamino)imino]pentanoic acidPentanoic acid, 4-[2-(aminocarbonyl)hydrazinylidene]-
Database identifiers
- CAS
89532-09-2- PubChem CID
- 229875
- DTXSID
DTXSID10282037- EC Number
- 654-644-8
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 212
Physicochemical properties
- Melting point
- 200 · 200-202°C (dec.)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 4.36 · 4.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 38 reports by companies from 1 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
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501a
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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