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893612-22-1 | 5-Bromo-3-(1,4-diazepan-1-yl);pyrazin-2-amine
CAS No: 893612-22-1 Catalog No: AG0086FF MDL No:MFCD08056176
Product Description
Catalog Number:
AG0086FF
Chemical Name:
5-Bromo-3-(1,4-diazepan-1-yl);pyrazin-2-amine
CAS Number:
893612-22-1
Molecular Formula:
C9H14BrN5
Molecular Weight:
272.1450
MDL Number:
MFCD08056176
IUPAC Name:
5-bromo-3-(1,4-diazepan-1-yl)pyrazin-2-amine
InChI:
InChI=1S/C9H14BrN5/c10-7-6-13-8(11)9(14-7)15-4-1-2-12-3-5-15/h6,12H,1-5H2,(H2,11,13)
InChI Key:
SHBAZYWQPREMSZ-UHFFFAOYSA-N
SMILES:
Brc1cnc(c(n1)N1CCNCCC1)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.15g/mol
Monoisotopic Mass:
271.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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