CAS
93858-94-7 Purity
96%
93858-94-7 Purity
96%
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6-Dodecyl-1,3-phenylene diisocyanate
CAS
93859-04-2
Catalog Number
ACM93859042
Category
Other Products
Molecular Weight
328.448520 [g/mol]
Molecular Formula
C20H28N2O2
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Specification
Synonyms
EINECS 299-339-7, 6-Dodecyl-1,3-phenylene diisocyanate, Benzene, 1-dodecyl-2,4-diisocyanato-, 93859-04-2
IUPAC Name
1-dodecyl-2,4-diisocyanatobenzene
Canonical SMILES
CCCCCCCCCCCCC1=C(C=C(C=C1)N=C=O)N=C=O
InChI Key
GYNTWFAMMSEMNZ-UHFFFAOYSA-N
Boiling Point
433.8ºC at 760mmHg
Flash Point
179.1ºC
Density
0.99g/cm³
EC Number
299-339-7
Exact Mass
328.21500
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 6-Dodecyl-1,3-phenylene diisocyanate?
The molecular formula is C20H28N2O2.
When was the structure of 6-Dodecyl-1,3-phenylene diisocyanate created and last modified?
The structure was created on 2007-12-05 and last modified on 2023-12-30.
What is the IUPAC name of 6-Dodecyl-1,3-phenylene diisocyanate?
The IUPAC name is 1-dodecyl-2,4-diisocyanatobenzene.
What is the InChIKey of 6-Dodecyl-1,3-phenylene diisocyanate?
The InChIKey is GYNTWFAMMSEMNZ-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 6-Dodecyl-1,3-phenylene diisocyanate?
The Canonical SMILES is CCCCCCCCCCCCC1=C(C=C(C=C1)N=C=O)N=C=O.
What is the molecular weight of 6-Dodecyl-1,3-phenylene diisocyanate?
The molecular weight is 328.4 g/mol.
How many hydrogen bond donor counts does 6-Dodecyl-1,3-phenylene diisocyanate have?
It has 0 hydrogen bond donor count.
What is the topological polar surface area of 6-Dodecyl-1,3-phenylene diisocyanate?
The topological polar surface area is 58.9 Ų.
How many rotatable bond counts does 6-Dodecyl-1,3-phenylene diisocyanate have?
It has 13 rotatable bond counts.
Is 6-Dodecyl-1,3-phenylene diisocyanate considered to have a covalently-bonded unit count of 1?
Yes, it is considered to have a covalently-bonded unit count of 1.
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