Butane-1,3-diol;3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;propane-1,2-diol
Basic information
- CAS
70644-57-4- Standard SMILES
CC(COCCCO)OCCCO.CC(O)CCO.CC(O)CO.O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1- InChIKey
OJRVAWBEKJMKHX-UHFFFAOYSA-N- Molecular formula
- C31H48N2O10
- Average molar mass
- 608.7 g/mol
Names & identifiers
- Preferred name
- Butane-1,3-diol;3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;propane-1,2-diol
- IUPAC
- butane-1,3-diol;3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol;1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene;propane-1,2-diol
- English name
- 1,3-Butanediol, polymer with 1,1'-methylenebis[4-isocyanatobenzene], [(1-methyl-1,2-ethanediyl)bis(oxy)]bis[propanol] and 1,2-propanediol
- Molecular formula
- C31H48N2O10
- Molecular weight
- 608.72022
Names & synonyms
1,3-Butanediol, polymer with 1,1'-methylenebis[4-isocyanatobenzene], [(1-methyl-1,2-ethanediyl)bis(oxy)]bis[propanol] and 1,2-propanediol
Database identifiers
- CAS
70644-57-4
Properties
Computed structural properties
- Topological polar surface area
- 199 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Butanediol, polymer with 1,1'-methylenebis[4-isocyanatobenzene], [(1-methyl-1,2-ethanediyl)bis(oxy)]bis[propanol] and 1,2-propanediol (70644-57-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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