3-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,4-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Completing data — refresh the page later to see the latest
Basic information
- CAS
70682-60-9- Standard SMILES
CC(CO)(CO)C(=O)O.CC1(C)CC(N)CC(C)(CN)C1.CC1(C)CC(N=C=O)CC(C)(CN=C=O)C1.[H]OCCCCO- InChIKey
WAFFYSJRYAJOMS-UHFFFAOYSA-N- Molecular formula
- C31H60N4O8
- Average molar mass
- 616.8 g/mol
- Monoisotopic mass
- 616.44111488
Names & identifiers
- Preferred name
- 3-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,4-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
- IUPAC
- 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;butane-1,4-diol;3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid;5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
- English name
- Polytetramethylene glycol, isophoronediisocyanate, dimethylolpropionic acid, isophoronediamine polymer
- Molecular formula
- (C12H18N2O2.C10H22N2.C5H10O4.(C4H8O)nH2O)x
- Molecular weight
- 0
Names & synonyms
Polytetramethylene glycol, isophoronediisocyanate, dimethylolpropionic acid, isophoronediamine polymerPropanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, α-hydro-ω-hydroxypoly(oxy-1,4-butanediyl) and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Database identifiers
- CAS
70682-60-9- PubChem CID
- 170852606
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 229 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, .alpha.-hydro-.omega.-hydroxypoly(oxy-1,4-butanediyl) and 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane (70682-60-9)
- 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
Loading…