Completing data — refresh the page later to see the latest
Basic information
- CAS
26281-63-0- Standard SMILES
COC(=O)C1CCCN=C(N)N1- InChIKey
AQLXUCVFVMSEPD-UHFFFAOYSA-N- Molecular formula
- C7H13N3O2
- Average molar mass
- 171.2 g/mol
- Monoisotopic mass
- 171.10077667
Names & identifiers
- Preferred name
- methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
- IUPAC
- methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate
- English name
- Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylic acid methyl ester
- Molecular formula
- C7H13N3O2
- Molecular weight
- 171.2
Names & synonyms
methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate26281-63-0SCHEMBL29642421DTXSID60275050OH-41Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylic acid methyl ester1H-1,3-Diazepine-7-carboxylic acid, 2-amino-4,5,6,7-tetrahydro-, methyl ester
Database identifiers
- CAS
26281-63-0- PubChem CID
- 33466
- DTXSID
DTXSID60275050- Nikkaji
- J395.101D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.7
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…