2H-Azepin-7-amine, 3,4,5,6-tetrahydro-2-imino-
Basic information
- CAS
64058-21-5- Standard SMILES
N=C1CCCCC(N)=N1- InChIKey
NBWAZUNSLABYAM-UHFFFAOYSA-N- Molecular formula
- C6H11N3
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.09529736
Names & identifiers
- Preferred name
- 2H-Azepin-7-amine, 3,4,5,6-tetrahydro-2-imino-
- IUPAC
- 7-imino-3,4,5,6-tetrahydroazepin-2-amine
- English name
- 3,4,5,6-Tetrahydro-2-imino-2H-azepin-7-amine
- Molecular formula
- C6H11N3
- Molecular weight
- 125.17
Names & synonyms
1-Aza-2,7-diiminocycloheptane2-Imino-3,4,5,6-tetrahydro-2H-azepin-7-amine2H-AZEPIN-7-AMINE, 3,4,5,6-TETRAHYDRO-2-IMINO-64058-21-5DTXSID60214222RefChem:268440DTXCID601367133,4,5,6-Tetrahydro-2-imino-2H-azepin-7-amineDB-293824
Database identifiers
- CAS
64058-21-5- PubChem CID
- 47146
- DTXSID
DTXSID60214222- Nikkaji
- J84.633C
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 148
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Compound notes
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