CAS
92525-74-1 Purity
96%
92525-74-1 Purity
96%
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1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate
CAS
92530-06-8
Catalog Number
ACM92530068
Category
Other Products
Molecular Weight
440.341760 [g/mol]
Molecular Formula
C27H29BN2O3
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Specification
Synonyms
CTK5H1359, AG-H-79129, 1,8-DIAZABICYCLO(5,4,0)UNDECENE-7-TETRAPHENYLBORATE, 92530-06-8
IUPAC Name
1,2,3,4,8,9,10,10a-octahydropyrimido[1,2-a]azepine;benzo[a]anthracen-7-yloxyboronic acid
Canonical SMILES
B(O)(O)OC1=C2C=CC3=CC=CC=C3C2=CC4=CC=CC=C41.C1CC=CN2CCCNC2C1
InChI Key
NJPAJFFEXRMGDR-UHFFFAOYSA-N
Exact Mass
440.22700
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular weight of 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
The molecular weight is 470.5 g/mol.
What is the InChIKey of 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
The InChIKey is YBJJNLDGLLBQLD-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
There is 1 hydrogen bond donor count.
What is the exact mass of 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
The exact mass is 470.2893293 g/mol.
How many topological polar surface areas are there in 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
The topological polar surface area is 15.3 Ų.
How many heavy atom counts are there in 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
There are 36 heavy atom counts.
Is 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate a canonicalized compound?
Yes, the compound is canonicalized.
How many covalently-bonded unit counts are there in 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
There are 2 covalently-bonded unit counts.
What is the formal charge of 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
The formal charge is -1.
How many undefined atom stereocenter counts are there in 1,8-Diazabicyclo[5.4.0]undecene-7-tetraphenylborate?
There is 1 undefined atom stereocenter count.
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