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Home > Pyridines > 1249958-77-7
1249958-77-7 | 1-(4-methylpyridin-2-yl)-1,4-diazepane
CAS No: 1249958-77-7 Catalog No: AG00JSVG MDL No:
Product Description
Catalog Number:
AG00JSVG
Chemical Name:
1-(4-methylpyridin-2-yl)-1,4-diazepane
CAS Number:
1249958-77-7
Molecular Formula:
C11H17N3
Molecular Weight:
191.2728
IUPAC Name:
1-(4-methylpyridin-2-yl)-1,4-diazepane
InChI:
InChI=1S/C11H17N3/c1-10-3-5-13-11(9-10)14-7-2-4-12-6-8-14/h3,5,9,12H,2,4,6-8H2,1H3
InChI Key:
OBNWZRXHPJTOEH-UHFFFAOYSA-N
SMILES:
Cc1ccnc(c1)N1CCNCCC1
Properties
Complexity:
172
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:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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