4-(Aminomethyl)-1,4-dihydroimidazol-5-one
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Basic information
- CAS
861566-59-8- Standard SMILES
NCC1N=CNC1=O- InChIKey
TUUHIDNGYWLQQX-UHFFFAOYSA-N- Molecular formula
- C4H7N3O
- Average molar mass
- 113.12 g/mol
- Monoisotopic mass
- 113.05891186
Names & identifiers
- Preferred name
- 4-(Aminomethyl)-1,4-dihydroimidazol-5-one
- IUPAC
- 4-(aminomethyl)-1,4-dihydroimidazol-5-one
- English name
- 4H-Imidazol-4-one, 5-(aminomethyl)-3,5-dihydro-
- Molecular formula
- C4H7N3O
- Molecular weight
- 113.12
Names & synonyms
4-(aminomethyl)-1,4-dihydroimidazol-5-one4H-Imidazol-4-one, 5-(aminomethyl)-3,5-dihydro-
Database identifiers
- CAS
861566-59-8- PubChem CID
- 45120716
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 131
Related reactions
0 records
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Compound notes
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