Home Other Building Blocks 1-(Pyrimidin-2-yl)-1,4-diazepane

1-(Pyrimidin-2-yl)-1,4-diazepane

CAS No.:
21279-57-2
Catalog Number:
AG003D4B
Molecular Formula:
C9H14N4
Molecular Weight:
178.2343
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
90%
In Stock USA
United States
$226
- +
5g
90%
In Stock USA
United States
$671
- +
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  
Properties