Basic information
- CAS
63059-37-0- Standard SMILES
CCCCN1C(=O)CC(=O)N(CC(=O)O)C1=O- InChIKey
QRISBXMPYXNSJX-UHFFFAOYSA-N- Molecular formula
- C10H14N2O5
- Average molar mass
- 242.23 g/mol
- Monoisotopic mass
- 242.09027155
Names & identifiers
- Preferred name
- 1(2H)-Pyrimidineacetic acid, 3-butyltetrahydro-2,4,6-trioxo-
- IUPAC
- 2-(3-butyl-2,4,6-trioxo-1,3-diazinan-1-yl)acetic acid
- English name
- 3-butyltetrahydro-2,4,6-trioxo-2H-pyrimidine-1-acetic acid
- Molecular formula
- C10H14N2O5
- Molecular weight
- 242.23
Names & synonyms
63059-37-01(2H)-Pyrimidineacetic acid, 3-butyltetrahydro-2,4,6-trioxo-EINECS 263-815-2DTXSID40886522RefChem:408818DTXCID3010258463-Butyltetrahydro-2,4,6-trioxo-2H-pyrimidine-1-acetic acidSCHEMBL9016557DB-315287NS00055965(3-BUTYL-2,4,6-TRIOXO-1,3-DIAZINAN-1-YL)ACETIC ACID(3-butyl-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)acetic acid
Show more names
3-Butyltetrahydro-2,4,6-trioxo-1(2H)-pyrimidineacetic acid
Database identifiers
- CAS
63059-37-0- PubChem CID
- 112993
- DTXSID
DTXSID40886522- EC Number
- 263-815-2
- Nikkaji
- J307.170G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- EPA Substance Registry System
- 1 · 1(2H)-Pyrimidineacetic acid, 3-butyltetrahydro-2,4,6-trioxo- (63059-37-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(2H)-Pyrimidineacetic acid, 3-butyltetrahydro-2,4,6-trioxo-: ACTIVE
Suppliers2 total
Alfa Chemistry+1-5166625404 · [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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