CAS
94021-65-5 Purity
96%
94021-65-5 Purity
96%
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Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate
CAS
94021-71-3
Catalog Number
ACM94021713
Category
Other Products
Molecular Weight
325.444580 [g/mol]
Molecular Formula
C21H27NO2
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Specification
Synonyms
EINECS 301-463-4, Methyl 2-(((octahydro-5,5-dimethyl-2-naphthyl)methylene)amino)benzoate, 94021-71-3
IUPAC Name
methyl 2-[(5,5-dimethyl-2,3,4,4a,6,7-hexahydro-1H-naphthalen-2-yl)methylideneamino]benzoate
InChI Key
HYWBKWFKDHFAGD-UHFFFAOYSA-N
Boiling Point
467.3ºC at 760mmHg
Flash Point
178.9ºC
Density
1.09g/cm³
Exact Mass
325.20400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate?
The molecular formula is C21H27NO2.
When was the compound first created?
The compound was first created on December 10, 2008.
What is the molecular weight of Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate?
The molecular weight is 325.4 g/mol.
What is the InChIKey of Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate?
The InChIKey is HYWBKWFKDHFAGD-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate have?
It has 3 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 38.7 Ų.
How many rotatable bond counts does Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate have?
It has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity of Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate?
The complexity is 520.
What is the Isotope Atom Count of the compound?
There are 0 isotope atom counts in Methyl 2-[[(octahydro-5,5-dimethyl-2-naphthyl)methylene]amino]benzoate.
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