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Home > Pyridines > 199938-13-1
199938-13-1 | 1H-1,4-Diazepine, hexahydro-1-(4-pyridinylmethyl)-
CAS No: 199938-13-1 Catalog No: AG002CGA MDL No:MFCD06409209
Product Description
Catalog Number:
AG002CGA
Chemical Name:
1H-1,4-Diazepine, hexahydro-1-(4-pyridinylmethyl)-
CAS Number:
199938-13-1
Molecular Formula:
C11H17N3
Molecular Weight:
191.2728
MDL Number:
MFCD06409209
IUPAC Name:
1-(pyridin-4-ylmethyl)-1,4-diazepane
InChI:
InChI=1S/C11H17N3/c1-4-12-7-9-14(8-1)10-11-2-5-13-6-3-11/h2-3,5-6,12H,1,4,7-10H2
InChI Key:
BSSOBVDBEBZUJL-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1ccncc1
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.142g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.278g/mol
Monoisotopic Mass:
191.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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