CAS
959235-57-5 Purity
96%
959235-57-5 Purity
96%
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1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid
CAS
959236-03-4
Catalog Number
ACM959236034
Category
Other Products
Molecular Weight
398.295
Molecular Formula
C18H24BrNO4
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Specification
Synonyms
1-N-BOC-3-(3-BROMOBENZYL) PIPERIDINE-3-CARBOXYLIC ACID;1-BOC-3-[(3-BROMOPHENYL)METHYL]-3-PIPERIDINECARBOXYLIC ACID
What is the molecular formula of 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid?
The molecular formula is C18H24BrNO4.
What is the molecular weight of 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid?
The molecular weight is 398.3 g/mol.
What is the IUPAC name of 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid?
The IUPAC name is 3-[(3-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid.
What is the InChI of 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid?
The InChI is InChI=1S/C18H24BrNO4/c1-17(2,3)24-16(23)20-9-5-8-18(12-20,15(21)22)11-13-6-4-7-14(19)10-13/h4,6-7,10H,5,8-9,11-12H2,1-3H3,(H,21,22).
What is the InChIKey of 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid?
The InChIKey is DCOCDUNOCFXVTO-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid?
The XLogP3-AA value is 3.6.
How many hydrogen bond acceptor counts does 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid have?
It has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid?
The topological polar surface area is 66.8 Ų.
Is 1-N-Boc-3-(3-bromobenzyl)piperidine-3-carboxylic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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