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15136-27-3

15136-27-3 | 2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)-

CAS No: 15136-27-3 Catalog No: AG001NAZ MDL No:

Product Description

Catalog Number:
AG001NAZ
Chemical Name:
2,5-Piperazinedione, 3-methyl-6-(1-methylethyl)-, (3R,6S)-
CAS Number:
15136-27-3
Molecular Formula:
C8H14N2O2
Molecular Weight:
170.2090
IUPAC Name:
(3R,6S)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
InChI:
InChI=1S/C8H14N2O2/c1-4(2)6-8(12)9-5(3)7(11)10-6/h4-6H,1-3H3,(H,9,12)(H,10,11)/t5-,6+/m1/s1
InChI Key:
ORLDMMKUTCCBSM-RITPCOANSA-N
SMILES:
C[C@H]1NC(=O)[C@@H](NC1=O)C(C)C

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
170.106g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.212g/mol
Monoisotopic Mass:
170.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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