CAS
92-45-5 Purity
>98.0%(GC)
92-45-5 Purity
>98.0%(GC)
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Cyclo(-beta-ala-gly-beta-ala-gly)
CAS
92456-55-8
Catalog Number
ACM92456558
Category
Other Products
Molecular Weight
256.26
Molecular Formula
C10H16N4O4
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Specification
Synonyms
CYCLO(-BETA-ALA-GLY-BETA-ALA-GLY);CYCLO(B-ALA-GLY-BETA-ALA-GLY)
IUPAC Name
1,4,7,10-tetrazacyclotetradecane-3,8,11,14-tetrone
Canonical SMILES
C1CC(=O)NCC(=O)NCCNC(=O)CNC1=O
InChI Key
YWYFLSAVATWRPU-UHFFFAOYSA-N
Boiling Point
857.8±65.0 °C (760 mmHg)
Density
1.172±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
256.11700
What is the molecular formula of Cyclo(-beta-ala-gly-beta-ala-gly)?
The molecular formula is C10H16N4O4.
What are the synonyms for Cyclo(-beta-ala-gly-beta-ala-gly)?
The synonyms are CYCLO(-beta-ALA-GLY-beta-ALA-GLY) and 3,7,10,14-tetraoxo-1,4,8,11-tetraazacyclotetradecane.
What is the molecular weight of Cyclo(-beta-ala-gly-beta-ala-gly)?
The molecular weight is 256.26 g/mol.
What is the IUPAC name of Cyclo(-beta-ala-gly-beta-ala-gly)?
The IUPAC name is 1,4,8,11-tetrazacyclotetradecane-2,5,9,12-tetrone.
What is the InChI of Cyclo(-beta-ala-gly-beta-ala-gly)?
The InChI is InChI=1S/C10H16N4O4/c15-7-1-3-11-9(17)6-14-8(16)2-4-12-10(18)5-13-7/h1-6H2,(H,11,17)(H,12,18)(H,13,15)(H,14,16).
What is the InChIKey of Cyclo(-beta-ala-gly-beta-ala-gly)?
The InChIKey is SOTAFKYEJRMIOS-UHFFFAOYSA-N.
What is the canonical SMILES of Cyclo(-beta-ala-gly-beta-ala-gly)?
The canonical SMILES is C1CNC(=O)CNC(=O)CCNC(=O)CNC1=O.
What is the XLogP3-AA value of Cyclo(-beta-ala-gly-beta-ala-gly)?
The XLogP3-AA value is -2.8.
How many hydrogen bond donor counts does Cyclo(-beta-ala-gly-beta-ala-gly) have?
It has 4 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Cyclo(-beta-ala-gly-beta-ala-gly) have?
It has 4 hydrogen bond acceptor counts.
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