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21279-57-2 | 1-(Pyrimidin-2-yl);-1,4-diazepane
CAS No: 21279-57-2 Catalog No: AG003D4B MDL No:MFCD06738258
Product Description
Catalog Number:
AG003D4B
Chemical Name:
1-(Pyrimidin-2-yl);-1,4-diazepane
CAS Number:
21279-57-2
Molecular Formula:
C9H14N4
Molecular Weight:
178.2343
MDL Number:
MFCD06738258
IUPAC Name:
1-pyrimidin-2-yl-1,4-diazepane
InChI:
InChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-7-2-3-10-6-8-13/h1,4-5,10H,2-3,6-8H2
InChI Key:
LZOGPVCTSDAYIP-UHFFFAOYSA-N
SMILES:
N1CCCN(CC1)c1ncccn1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.239g/mol
Monoisotopic Mass:
178.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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