Basic information
- CAS
109905-63-7- Standard SMILES
CCNc1nc(Cl)nc(N[C@@H](C)CC)n1- InChIKey
BZRUVKZGXNSXMB-LURJTMIESA-N- Molecular formula
- C9H16ClN5
- Average molar mass
- 229.71 g/mol
- Monoisotopic mass
- 229.1094232
Overview
(S)-sebuthylazine is the (S)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine.
Names & identifiers
- Preferred name
- (S)-sebuthylazine
- IUPAC
- 2-N-[(2S)-butan-2-yl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
(S)-sebuthylazine2-N-[(2S)-butan-2-yl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine109905-63-7CHEBI:83791DTXSID701150938n-[(2s)-butan-2-yl]-6-chloro-n'-ethyl-1,3,5-triazine-2,4-diamineQ271572261,3,5-Triazine-2,4-diamine, 6-chloro-N-ethyl-Na(2)-(1-methylpropyl)-, (S)-N~2~-[(2S)-Butan-2-yl]-6-chloro-N~4~-ethyl-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
109905-63-7- PubChem CID
- 184136
- DTXSID
DTXSID701150938- ChEBI
CHEBI:83791- Nikkaji
- J367.500I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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