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Home > Pyridines > 194853-82-2
194853-82-2 | 1H-1,4-Diazepine, hexahydro-1-(4-pyridinyl)-
CAS No: 194853-82-2 Catalog No: AG00I32X MDL No:MFCD06409206
Product Description
Catalog Number:
AG00I32X
Chemical Name:
1H-1,4-Diazepine, hexahydro-1-(4-pyridinyl)-
CAS Number:
194853-82-2
Molecular Formula:
C10H15N3
Molecular Weight:
177.2462
MDL Number:
MFCD06409206
IUPAC Name:
1-pyridin-4-yl-1,4-diazepane
InChI:
InChI=1S/C10H15N3/c1-4-11-7-9-13(8-1)10-2-5-12-6-3-10/h2-3,5-6,11H,1,4,7-9H2
InChI Key:
PKAOAQVMDURQAK-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)c1ccncc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.127g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.251g/mol
Monoisotopic Mass:
177.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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