AC1L58QA structure

AC1L58QA

3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylcyclohexane

Also Known As: Poly[oxy(methyl-1,2-ethanediyl)], .alpha.,.alpha.',.alpha.''-1,2,3-propanetriyltris[.omega.-hydroxy-, polymer with 1,3-diisocyanato-2-methylbenzene and 2,4-diisocyanato-1-methylbenzene|(C9-H6-N2-O2.C9-H6-N2-O2.(C3-H6-O)mult-(C3-H6-O)mult-(C3-H6-O)mult-C3-H8-O3)x-|3-[1,3-bis(3-hydroxypropoxy)propan-2-yloxy]propan-1-ol; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-cyclohexane|3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol; 1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylcyclohexane|Poly(oxy(methyl-1,2-ethanediyl)), alpha,alpha',alpha''-1,2,3-propanetriyltris(omega-hydroxy-, polymer with 1,3-diisocyanato-2-methylbenzene and 2,4-diisocyanato-1-methylbenzene|Poly[oxy(methyl-1,2-ethanediyl)], ?,?',?''- 1,2,3-propanetriyltris[?-hydroxy-, polymer with 1,3-diisocyanato-2-methylbenzene and 2,4-diisocyanato-1-methylbenzene

CAS: 68479-75-4
Molecular Formula C30H44N4O10
Molecular Weight 620.3057 g/mol
LogP 2.69682
Topological Polar Surface Area 206.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 14
Rotatable Bonds 18
Exact Mass 620.3057
Monoisotopic Mass 620.3057
Heavy Atoms 44
Complexity 647.0

Chemical Identifiers

CAS Number 68479-75-4
SMILES CC1CCC(CC1N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O.C(CO)COCC(COCCCO)OCCCO
InChIKey QQEZLTZVCCLOHL-UHFFFAOYSA-N

Product Overview

AC1L58QA (CAS 68479-75-4), with molecular formula C30H44N4O10 and molecular weight 620.3057 g/mol. IUPAC: 3-[2,3-bis(3-hydroxypropoxy)propoxy]propan-1-ol;1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylcyclohexane.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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