Home Other Building Blocks (3S)-3-methyl-1,4-diazepan-2-one

(3S)-3-methyl-1,4-diazepan-2-one

CAS No.:
128427-25-8
Catalog Number:
AG01BU3E
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
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Product Description
Catalog Number:
AG01BU3E
Chemical Name:
(3S)-3-methyl-1,4-diazepan-2-one
CAS Number:
128427-25-8
Molecular Formula:
C6H12N2O
Molecular Weight:
128.1723
MDL Number:
MFCD19226104
IUPAC Name:
(3S)-3-methyl-1,4-diazepan-2-one
InChI:
InChI=1S/C6H12N2O/c1-5-6(9)8-4-2-3-7-5/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1
InChI Key:
PPFMWEFKLWLFKX-YFKPBYRVSA-N
SMILES:
C[C@@H]1NCCCNC1=O
Properties
Complexity:
114  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
128.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
128.175g/mol
Monoisotopic Mass:
128.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties