200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 1172422-18-2
1172422-18-2 | 1-(pyridine-4-carbonyl)-1,4-diazepane dihydrochloride
CAS No: 1172422-18-2 Catalog No: AG019NCR MDL No:MFCD11505549
Product Description
Catalog Number:
AG019NCR
Chemical Name:
1-(pyridine-4-carbonyl)-1,4-diazepane dihydrochloride
CAS Number:
1172422-18-2
Molecular Formula:
C11H17Cl2N3O
Molecular Weight:
278.1782
MDL Number:
MFCD11505549
IUPAC Name:
1,4-diazepan-1-yl(pyridin-4-yl)methanone;dihydrochloride
InChI:
InChI=1S/C11H15N3O.2ClH/c15-11(10-2-5-13-6-3-10)14-8-1-4-12-7-9-14;;/h2-3,5-6,12H,1,4,7-9H2;2*1H
InChI Key:
NTRWVHUASOAKDU-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)N1CCNCCC1.Cl.Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.177g/mol
Monoisotopic Mass:
277.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.