CAS
913835-38-8 Purity
98%
913835-38-8 Purity
98%
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Boronicacid,b-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]-
CAS
913835-41-3
Catalog Number
ACM913835413
Category
Other Products
Molecular Weight
283.13002
Molecular Formula
C16H18BNO3
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Specification
Synonyms
913835-41-3, N-Benzyl-N-ethyl 4-boronobenzamide, (4-(Benzyl(ethyl)carbamoyl)phenyl)boronic acid, CTK3I6395, MolPort-001-767-806, N-Benzyl-N-ethyl-4-boronobenzamide, ANW-42176, N-Benzyl-N-ethyl 4-boronobenzamide,, OR3772, AKOS015888885, AK-92028, KB-57752, 4-[benzyl(ethyl)carbamoyl]phenylboronic acid, FT-0688848, 4-[Benzyl(ethyl)carbamoyl]benzeneboronic acid, B-5603, I01-16277, Boronicacid, B-[4-[[ethyl(phenylmethyl)amino]carbonyl]phenyl]-
IUPAC Name
[4-[benzyl(ethyl)carbamoyl]phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C(=O)N(CC)CC2=CC=CC=C2)(O)O
InChI Key
JXQDQZJKWVFJKV-UHFFFAOYSA-N
Boiling Point
518.3ºC at 760 mmHg
Flash Point
267.2ºC
Density
1.2g/cm³
Exact Mass
283.13800
Hazard Statements
Xi
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of the compound with the PubChem CID 44119167?
The molecular formula is C16H18BNO3.
When was this compound created according to PubChem?
It was created on July 21, 2009.
What is the IUPAC name of the compound?
The IUPAC name is [4-[benzyl(ethyl)carbamoyl]phenyl]boronic acid.
What is the InChIKey of the compound?
The InChIKey is JXQDQZJKWVFJKV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has two hydrogen bond donor counts.
What is the exact mass of the compound?
The exact mass is 283.1379736 g/mol.
How many rotatable bond counts does the compound have?
The compound has five rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 60.8 ㎡.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of the compound?
The complexity value is 324.
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