CAS
94109-14-5 Purity
96%
94109-14-5 Purity
96%
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4-(Cyclohexylamino)-7H-benzo[e]perimidin-7-one
CAS
94109-22-5
Catalog Number
ACM94109225
Category
Other Products
Molecular Weight
329.395060 [g/mol]
Molecular Formula
C21H19N3O
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Specification
Synonyms
EINECS 302-461-6, 4-(Cyclohexylamino)-7H-benzo(e)perimidin-7-one, 94109-22-5
IUPAC Name
4-(cyclohexylamino)benzo[e]perimidin-7-one
Canonical SMILES
C1CCC(CC1)NC2=C3C4=C(C=C2)C(=O)C5=CC=CC=C5C4=NC=N3
InChI Key
LITYGXHOWXYFMR-UHFFFAOYSA-N
EC Number
302-461-6
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 44148406?
The molecular formula is C21H19N3O.
When was the compound created in PubChem?
It was created on August 20, 2009.
What is the IUPAC name of the compound?
The IUPAC name is 4-(cyclohexylamino)benzo[e]perimidin-7-one.
What is the molecular weight of the compound?
The molecular weight is 329.4 g/mol.
What is the CAS number of the compound?
The CAS number is 94109-22-5.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 54.9Ų.
Does the compound have any defined atom stereocenter counts?
No, the compound has 0 defined atom stereocenter counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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