Formaldehyde--6,6'-(butane-1,3-diyl)di(1,3,5-triazine-2,4(1H,3H)-diimine) (1/1)
Basic information
- CAS
71230-62-1- Standard SMILES
C=O.CC(CCc1nc(N)nc(N)n1)c1nc(N)nc(N)n1- InChIKey
BLTSJUOSHRMNCB-UHFFFAOYSA-N- Molecular formula
- C11H18N10O
- Average molar mass
- 306.33 g/mol
- Monoisotopic mass
- 306.16650524
Names & identifiers
- Preferred name
- Formaldehyde--6,6'-(butane-1,3-diyl)di(1,3,5-triazine-2,4(1H,3H)-diimine) (1/1)
- IUPAC
- 6-[3-(4,6-diamino-1,3,5-triazin-2-yl)butyl]-1,3,5-triazine-2,4-diamine;formaldehyde
Names & synonyms
DTXSID90991539Formaldehyde--6,6'-(butane-1,3-diyl)di(1,3,5-triazine-2,4(1H,3H)-diimine) (1/1)
Database identifiers
- CAS
71230-62-1- PubChem CID
- 44146972
- DTXSID
DTXSID90991539
Properties
Computed structural properties
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 284
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Related reactions
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Compound notes
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