1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis-
Basic information
- CAS
100310-83-6- Standard SMILES
CC(C)(CCNCC1COc2ccccc2O1)CCC(C)(C)NCC1COc2ccccc2O1- InChIKey
DNWKBCPYWYBVEB-UHFFFAOYSA-N- Molecular formula
- C28H40N2O4
- Average molar mass
- 468.6 g/mol
- Monoisotopic mass
- 468.29880776
Names & identifiers
- Preferred name
- 1,4-Benzodioxan-2-methylamine, N,N'-(1,1,4,4-tetramethylhexamethylene)bis-
- IUPAC
- 1-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethylheptane-1,6-diamine
Names & synonyms
100310-83-6N,N'-(1,1,4,4-Tetramethylhexamethylene)bis(1,4-benzodioxan-2-methylamine)1,4-BENZODIOXAN-2-METHYLAMINE, N,N'-(1,1,4,4-TETRAMETHYLHEXAMETHYLENE)BIS-N,N'-Bis(1,4-benzodioxan-2-ylmethyl)-2,7-dimethyl-2,7-octane diamine dihydrochlorideRefChem:2200931-N,6-N-bis(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,3,6-trimethylheptane-1,6-diamineDTXSID309053521,6-Heptanediamine, N1,N6-bis[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,3,6-trimethyl-N~1~,N~6~-Bis[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3,3,6-trimethylheptane-1,6-diamine
Database identifiers
- CAS
100310-83-6- PubChem CID
- 57706
- DTXSID
DTXSID30905352
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 613
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Compound notes
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