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Home > Pyridines > 874814-64-9
874814-64-9 | 1-(pyridin-3-ylmethyl)-1,4-diazepane
CAS No: 874814-64-9 Catalog No: AG00GVU0 MDL No:MFCD06409208
Product Description
Catalog Number:
AG00GVU0
Chemical Name:
1-(pyridin-3-ylmethyl)-1,4-diazepane
CAS Number:
874814-64-9
Molecular Formula:
C11H17N3
Molecular Weight:
191.2728
MDL Number:
MFCD06409208
IUPAC Name:
1-(pyridin-3-ylmethyl)-1,4-diazepane
InChI:
InChI=1S/C11H17N3/c1-3-11(9-13-4-1)10-14-7-2-5-12-6-8-14/h1,3-4,9,12H,2,5-8,10H2
InChI Key:
MXQPXVVTZOHEKW-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1cccnc1
Properties
Complexity:
161
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:
0.3
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