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Home > Pyridines > 1264090-73-4
1264090-73-4 | 1-(Pyridin-4-Ylmethyl)-1,4-Diazepane Hydrochloride
CAS No: 1264090-73-4 Catalog No: AG00HRI1 MDL No:MFCD18425881
Product Description
Catalog Number:
AG00HRI1
Chemical Name:
1-(Pyridin-4-Ylmethyl)-1,4-Diazepane Hydrochloride
CAS Number:
1264090-73-4
Molecular Formula:
C11H18ClN3
Molecular Weight:
227.7337
MDL Number:
MFCD18425881
IUPAC Name:
1-(pyridin-4-ylmethyl)-1,4-diazepane;hydrochloride
InChI:
InChI=1S/C11H17N3.ClH/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;1H
InChI Key:
WRVBTVMUPDGFPL-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)Cc1ccncc1.Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.119g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.736g/mol
Monoisotopic Mass:
227.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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