CAS
906522-89-0 Purity
96%
906522-89-0 Purity
96%
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(2S,5R)-tert-Butyl 2-ethyl-5-methylpiperazine-1-carboxylate
CAS
906559-60-2
Catalog Number
ACM906559602
Category
Other Products
Molecular Weight
228.33
Molecular Formula
C12H24N2O2
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Specification
Synonyms
(2S,5R)-2-ethyl-5-methyl-N-BOC-Piperazine, 906559-60-2, SureCN915234, CTK5G8284, AKOS015966565, AKOS016015872, AG-H-72084, (2S,5R)-tert-butyl 2-ethyl-5-methylpiperazine-1-carboxylate
IUPAC Name
tert-butyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate
Canonical SMILES
CCC1CNC(CN1C(=O)OC(C)(C)C)C
InChI Key
PDQANZVZHPLKDA-ZJUUUORDSA-N
Exact Mass
228.18400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of (2S,5R)-tert-butyl 2-ethyl-5-methylpiperazine-1-carboxylate?
The molecular formula is C12H24N2O2.
When was the compound first created?
The compound was first created on May 28, 2009.
How is the InChIKey of this compound computed?
The InChIKey is computed using InChI 1.0.5.
What is the Canonical SMILES for this compound?
The Canonical SMILES is CCC1CNC(CN1C(=O)OC(C)(C)C)C.
How many hydrogen bond donor counts does this compound have?
The compound has 1 hydrogen bond donor count.
What is the exact mass of the compound?
The exact mass is 228.183778013 g/mol.
How many defined atom stereocenter counts are there in this compound?
There are 2 defined atom stereocenter counts.
What is the Covalently-Bonded Unit Count for this compound?
The Covalently-Bonded Unit Count is 1.
What is the XLogP3-AA value of this compound?
The XLogP3-AA value is 1.8.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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