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89009-85-8 | Pyrrolidine, 1-[3-(hexahydro-1H-1,4-diazepin-1-yl)-1-oxopropyl]-
CAS No: 89009-85-8 Catalog No: AG00444U MDL No:
Product Description
Catalog Number:
AG00444U
Chemical Name:
Pyrrolidine, 1-[3-(hexahydro-1H-1,4-diazepin-1-yl)-1-oxopropyl]-
CAS Number:
89009-85-8
Molecular Formula:
C12H23N3O
Molecular Weight:
225.3305
IUPAC Name:
3-(1,4-diazepan-1-yl)-1-pyrrolidin-1-ylpropan-1-one
InChI:
InChI=1S/C12H23N3O/c16-12(15-8-1-2-9-15)4-10-14-7-3-5-13-6-11-14/h13H,1-11H2
InChI Key:
ZJZVMBTZNDEFRQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC1)CCN1CCNCCC1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.184g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.336g/mol
Monoisotopic Mass:
225.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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