CAS
947258-24-4 Purity
96%
947258-24-4 Purity
96%
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(S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine
CAS
947275-34-5
Catalog Number
ACM947275345
Category
Other Products
Molecular Weight
306.40
Molecular Formula
C17H26N2O3
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What is the molecular formula of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
The molecular formula is C17H26N2O3.
What is the molecular weight of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
The molecular weight is 306.4 g/mol.
What is the IUPAC name of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
The IUPAC name is tert-butyl (2S)-4-benzyl-2-(hydroxymethyl)piperazine-1-carboxylate.
What is the InChI of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
The InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(21)19-10-9-18(12-15(19)13-20)11-14-7-5-4-6-8-14/h4-8,15,20H,9-13H2,1-3H3/t15-/m0/s1.
What is the InChIKey of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
The InChIKey is YFBKIGOBELWXJV-HNNXBMFYSA-N.
What is the Canonical SMILES of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
The Canonical SMILES is CC(C)(C)OC(=O)N1CCN(CC1CO)CC2=CC=CC=C2.
How many hydrogen bond donor counts are there in (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
There are 4 hydrogen bond acceptor counts.
What is the topological polar surface area of (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine?
The topological polar surface area is 53.2.
Is (S)-1-Boc-4-benzyl-2-(hydroxymethyl)piperazine a canonicalized compound?
Yes, the compound is canonicalized.
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