CAS
89958-29-2 Purity
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89958-29-2 Purity
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(S)-3-(2-Bromoethyl)-2,5-diketopiperazine
CAS
89959-26-2
Catalog Number
ACM89959262
Category
Other Products
Molecular Weight
221.05
Molecular Formula
C6H9BrN2O2
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Specification
Synonyms
(S)-3-(2-BROMOETHYL)-2,5-DIKETOPIPERAZINE
IUPAC Name
3-(2-bromoethyl)piperazine-2,5-dione
SMILES
C1C(=O)NC(C(=O)N1)CCBr
InChI Key
NEPOFXZGOPOROF-UHFFFAOYSA-N
Exact Mass
219.98500
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The molecular formula is C6H9BrN2O2.
What are the synonyms for (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
One synonym is AKOS016023817.
What is the molecular weight of (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The molecular weight is 221.05 g/mol.
What is the IUPAC name of (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The IUPAC name is (3S)-3-(2-bromoethyl)piperazine-2,5-dione.
What is the InChI of (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The InChI is InChI=1S/C6H9BrN2O2/c7-2-1-4-6(11)8-3-5(10)9-4/h4H,1-3H2,(H,8,11)(H,9,10)/t4-/m0/s1.
What is the InChIKey of (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The InChIKey is NEPOFXZGOPOROF-BYPYZUCNSA-N.
What is the canonical SMILES of (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The canonical SMILES is C1C(=O)NC(C(=O)N1)CCBr.
What is the isomeric SMILES of (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The isomeric SMILES is C1C(=O)N[C@H](C(=O)N1)CCBr.
What is the XLogP3-AA value for (S)-3-(2-Bromoethyl)-2,5-diketopiperazine?
The XLogP3-AA value is -0.2.
How many rotatable bond counts does (S)-3-(2-Bromoethyl)-2,5-diketopiperazine have?
It has 2 rotatable bond counts.
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