Basic information
- CAS
45791-94-4- Standard SMILES
C[n+]1ccc(C(N)=O)cc1- InChIKey
BCTLSNNPGPZRTC-UHFFFAOYSA-O- Molecular formula
- C7H9N2O+
- Average molar mass
- 137.16 g/mol
- Monoisotopic mass
- 137.07148792
Names & identifiers
- Preferred name
- Pyridinium, 4-(aminocarbonyl)-1-methyl-
- IUPAC
- 1-methylpyridin-1-ium-4-carboxamide
- English name
- 4-(Aminocarbonyl)-1-methylpyridinium
- Molecular formula
- C7H9N2O+
- Molecular weight
- 137.16
Names & synonyms
45791-94-4Pyridinium, 4-(aminocarbonyl)-1-methyl-DTXSID90329070RefChem:377235DTXCID102801741-methylpyridin-1-ium-4-carboxamide4-CARBAMOYL-1-METHYLPYRIDIN-1-IUMNCIOpen2_005206CHEMBL724901-methylpyridine-4-carboxamideSCHEMBL4381133SCHEMBL7291835
Show more names
NSC807569SBB0859684-(aminocarbonyl)-1-methylpyridiniumNSC-807569AC-907/25004700
Database identifiers
- CAS
45791-94-4- PubChem CID
- 417166
- DTXSID
DTXSID90329070- ChEMBL
CHEMBL72490- Nikkaji
- J332.073A
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 1
- Complexity
- 128
Chemistry & industry
Suppliers2 total
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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