2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one(SALTDATA: 2HCl 1H2O)
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Basic information
- CAS
391953-90-5- Standard SMILES
Cc1nc2c(c(=O)[nH]1)CCNCC2- InChIKey
DJXOCPHFYNUINN-UHFFFAOYSA-N- Molecular formula
- C9H13N3O
- Average molar mass
- 179.22 g/mol
Names & identifiers
- Preferred name
- 2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one(SALTDATA: 2HCl 1H2O)
- English name
- 2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one(SALTDATA: 2HCl 1H2O)
- Molecular formula
- C9H13N3O
- Molecular weight
- 179.22
Names & synonyms
2-methyl-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one2-Methyl-6,7,8,9-tetrahydro-3H-pyriMido[4,5-d]azepin-4(5H)-one2-Methyl-6,7,8,9-tetrahydro-1H-pyrimido[4,5-d]azepin-4(5H)-one4H-Pyrimido[4,5-d]azepin-4-one, 3,5,6,7,8,9-hexahydro-2-methyl-2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one(SALTDATA: 2HCl 1H2O)
Database identifiers
- CAS
391953-90-5
Properties
Physicochemical properties
- Boiling point
- 323.8 · 323.8±52.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- 9.86 · 9.86±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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