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Home > Other Heterocycles > 1193389-75-1
1193389-75-1 | 3,7,15-triazadispiro[5.1.5^{8}.2^{6}]pentadecan-14-one
CAS No: 1193389-75-1 Catalog No: AG019VIH MDL No:MFCD12197190
Product Description
Catalog Number:
AG019VIH
Chemical Name:
3,7,15-triazadispiro[5.1.5^{8}.2^{6}]pentadecan-14-one
CAS Number:
1193389-75-1
Molecular Formula:
C12H21N3O
Molecular Weight:
223.3146
MDL Number:
MFCD12197190
IUPAC Name:
7,11,14-triazadispiro[5.1.58.26]pentadecan-15-one
InChI:
InChI=1S/C12H21N3O/c16-10-11(4-2-1-3-5-11)15-12(14-10)6-8-13-9-7-12/h13,15H,1-9H2,(H,14,16)
InChI Key:
ZJDWKBGBDOVQPU-UHFFFAOYSA-N
SMILES:
O=C1NC2(NC31CCCCC3)CCNCC2
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
223.32g/mol
Monoisotopic Mass:
223.168g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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