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150380-35-1 | 1,3-Diazaspiro[4.4]nonane-2,4-dione, 3-[2-[bis(2-chloroethyl)amino]ethyl]-
CAS No: 150380-35-1 Catalog No: AG001MKO MDL No:
Product Description
Catalog Number:
AG001MKO
Chemical Name:
1,3-Diazaspiro[4.4]nonane-2,4-dione, 3-[2-[bis(2-chloroethyl)amino]ethyl]-
CAS Number:
150380-35-1
Molecular Formula:
C13H21Cl2N3O2
Molecular Weight:
322.2307
IUPAC Name:
3-[2-[bis(2-chloroethyl)amino]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
InChI:
InChI=1S/C13H21Cl2N3O2/c14-5-7-17(8-6-15)9-10-18-11(19)13(16-12(18)20)3-1-2-4-13/h1-10H2,(H,16,20)
InChI Key:
SSPKQVAQJYNRQQ-UHFFFAOYSA-N
SMILES:
ClCCN(CCN1C(=O)NC2(C1=O)CCCC2)CCCl
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.23g/mol
Monoisotopic Mass:
321.101g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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