CAS
913835-39-9 Purity
98%
913835-39-9 Purity
98%
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Boronicacid,b-[4-[(4-methyl-1-piperazinyl)carbonyl]phenyl]-,hydrochloride(1:1)
CAS
913835-43-5
Catalog Number
ACM913835435
Category
Other Products
Molecular Weight
284.54692
Molecular Formula
C12H17BN2O3.ClH
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Specification
Synonyms
[4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid,hydrochloride;
IUPAC Name
[4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid;hydrochloride
InChI Key
OUEWYSQRULKJEQ-UHFFFAOYSA-N
Boiling Point
481.8ºC at 760 mmHg
Flash Point
245.2ºC
Exact Mass
284.11000
Hazard Statements
Xi
H-Bond Acceptor
4
H-Bond Donor
3
What is the molecular formula of the compound with PubChem CID 44119573?
The molecular formula is C12H18BClN2O3.
When was the compound created in PubChem?
The compound was created on July 21, 2009.
What is the IUPAC name of the compound?
The IUPAC name is [4-(4-methylpiperazine-1-carbonyl)phenyl]boronic acid;hydrochloride.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 284.1099003 g/mol.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 64 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of the compound?
The complexity value is 285.
How many covalently-bonded unit counts does the compound have?
The compound has 2 covalently-bonded unit counts.
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