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Home > Pyridines > 887833-52-5
887833-52-5 | 1-(2-pyridin-4-ylethyl)-1,4-diazepane
CAS No: 887833-52-5 Catalog No: AG00GVK1 MDL No:MFCD08282675
Product Description
Catalog Number:
AG00GVK1
Chemical Name:
1-(2-pyridin-4-ylethyl)-1,4-diazepane
CAS Number:
887833-52-5
Molecular Formula:
C12H19N3
Molecular Weight:
205.2994
MDL Number:
MFCD08282675
IUPAC Name:
1-(2-pyridin-4-ylethyl)-1,4-diazepane
InChI:
InChI=1S/C12H19N3/c1-5-13-8-11-15(9-1)10-4-12-2-6-14-7-3-12/h2-3,6-7,13H,1,4-5,8-11H2
InChI Key:
RBIHGLXGQQWYEA-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)CCc1ccncc1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.305g/mol
Monoisotopic Mass:
205.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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