CAS
94213-24-8 Purity
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94213-24-8 Purity
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4-Isocyanato-2-[(2-isocyanatocyclohexyl)methyl]-1-methylcyclohexane
CAS
94213-28-2
Catalog Number
ACM94213282
Category
Other Products
Molecular Weight
276.373960 [g/mol]
Molecular Formula
C16H24N2O2
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Specification
Synonyms
EINECS 303-731-6, CID3024035, 4-Isocyanato-2-((2-isocyanatocyclohexyl)methyl)-1-methylcyclohexane, 94213-28-2
IUPAC Name
4-isocyanato-2-[(2-isocyanatocyclohexyl)methyl]-1-methylcyclohexane
Canonical SMILES
CC1CCC(CC1CC2CCCCC2N=C=O)N=C=O
InChI Key
CCDZNBDQBSSRAO-UHFFFAOYSA-N
Boiling Point
371.8ºC at 760mmHg
Flash Point
153.4ºC
Density
1.16g/cm³
EC Number
303-731-6
Exact Mass
276.18400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C16H24N2O2.
When was the compound first created?
The compound was first created on August 8, 2005.
What is the molecular weight of the compound?
The molecular weight is 276.37 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-isocyanato-2-[(2-isocyanatocyclohexyl)methyl]-1-methylcyclohexane.
What is the InChI key of the compound?
The InChI key is CCDZNBDQBSSRAO-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 5.7.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the topological polar surface area of the compound?
The topological polar surface area is 58.9 Ų.
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CAS
94213-29-3 Purity
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