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Home > Pyridines > 1197865-33-0
1197865-33-0 | 2-(1,4-diazepan-1-yl)pyridine-3-carbonitrile hydrochloride
CAS No: 1197865-33-0 Catalog No: AG019WVA MDL No:MFCD12913231
Product Description
Catalog Number:
AG019WVA
Chemical Name:
2-(1,4-diazepan-1-yl)pyridine-3-carbonitrile hydrochloride
CAS Number:
1197865-33-0
Molecular Formula:
C11H15ClN4
Molecular Weight:
238.7166
MDL Number:
MFCD12913231
IUPAC Name:
2-(1,4-diazepan-1-yl)pyridine-3-carbonitrile;hydrochloride
InChI:
InChI=1S/C11H14N4.ClH/c12-9-10-3-1-5-14-11(10)15-7-2-4-13-6-8-15;/h1,3,5,13H,2,4,6-8H2;1H
InChI Key:
ZTZUWWMPFBUZTG-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1N1CCNCCC1.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.719g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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