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139490-13-4 | 1,7-Diazacyclotridecan-8-one, 9-amino-1-methyl-, (S)- (9CI)
CAS No: 139490-13-4 Catalog No: AG001B4Q MDL No:
Product Description
Catalog Number:
AG001B4Q
Chemical Name:
1,7-Diazacyclotridecan-8-one, 9-amino-1-methyl-, (S)- (9CI)
CAS Number:
139490-13-4
Molecular Formula:
C12H25N3O
Molecular Weight:
227.3464
IUPAC Name:
9-amino-1-methyl-1,7-diazacyclotridecan-8-one
InChI:
InChI=1S/C12H25N3O/c1-15-9-5-2-4-8-14-12(16)11(13)7-3-6-10-15/h11H,2-10,13H2,1H3,(H,14,16)
InChI Key:
ADVZREKNCJWYGJ-UHFFFAOYSA-N
SMILES:
CN1CCCC[C@H](N)C(=O)NCCCCC1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.2g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.352g/mol
Monoisotopic Mass:
227.2g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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