Alanine anhydride - CAS 5625-46-7

Catalog:	BB029306
Product Name:	Alanine anhydride
CAS:	5625-46-7
Synonyms:	3,6-dimethylpiperazine-2,5-dione

Technical Data

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Computed Properties

IUPAC Name:	3,6-dimethylpiperazine-2,5-dione
Description:	Alanine anhydride (CAS# 5625-46-7 ) is a useful research chemical.
Molecular Weight:	142.16
Molecular Formula:	C6H10N2O2
Canonical SMILES:	CC1C(=O)NC(C(=O)N1)C
InChI:	InChI=1S/C6H10N2O2/c1-3-5(9)8-4(2)6(10)7-3/h3-4H,1-2H3,(H,7,10)(H,8,9)
InChI Key:	WWISPHBAYBECQZ-UHFFFAOYSA-N
Boiling Point:	453 °C at 760 mmHg
Density:	1.081 g/cm³
MDL:	MFCD00023153
LogP:	-0.33300

Publication Number	Title	Priority Date
WO-2020189311-A1	Method for producing 2,5-dichloropyrazine	20190318
CN-113227322-A	Stabilizer composition, vinyl chloride resin composition containing same, and molded article thereof	20190204
KR-20210096123-A	Compounds and Compositions for Treating Conditions Associated with NLRP Activity	20181113
CN-109096113-B	Method for aromatizing synthetic oak moss	20180913
CN-109053580-B	Synthesis method of cosmetic dipeptide	20180822

PMID	Publication Date	Title	Journal
21303118	20110207	Bond dissociation of the dipeptide dialanine and its derivative alanine anhydride induced by low energy electrons	The Journal of chemical physics
17516635	20070614	Oxidation of cyclic dipeptides by photoinduced H-atom abstraction. A laser flash FT EPR and optical spectroscopy study	The journal of physical chemistry. A
17316235	20070301	Thermal degradation analysis of amino acids in fingerprint residue by pyrolysis GC-MS to develop new latent fingerprint developing reagents	Journal of forensic sciences

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Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.074227566
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	142.074227566
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.2
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5