Basic information
- CAS
72547-44-5- Standard SMILES
C[NH+]1CCN(C(=O)CCC(=O)[O-])CC1- InChIKey
NZTQZEIZMMJXFG-UHFFFAOYSA-N- Molecular formula
- C9H16N2O3
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.11609238
Names & identifiers
- Preferred name
- 4-(4-Methylpiperazin-4-ium-1-yl)-4-oxobutanoate
- IUPAC
- 4-(4-methylpiperazin-4-ium-1-yl)-4-oxobutanoate
- English name
- 4-(4-Methyl-piperazin-1-yl)-4-oxo-butyric acid
- Molecular formula
- C9H16N2O3
- Molecular weight
- 200.23
Names & synonyms
AKOS BB/0082AKOS BB-3960BUTTPARK 80\07-72TIMTEC-BB SBB005752SUCCINIC ACID, 4-METHYLPIPERAZIDE4-(4-Methyl-piperazin-1-yl)-4-oxo-1-Piperazinebutanoic acid, 4-methyl-γ-oxo-4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid4-(4-Methyl-piperazin-1-yl)-4-oxo-butyric acid4-(4-METHYL-PIPERAZIN-1-YL)-4-OXO-BUTYRIC ACID >98%
Database identifiers
- CAS
72547-44-5- PubChem CID
- 5240297
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 95 · 95-96 °C
- Boiling point
- 393 · 393.0±37.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 4.86 · 4.86±0.17(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 233 · P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Chemistry & industry
Suppliers12 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海高蹈医药科技有限公司021-15001867143 15001867143 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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