Home Halogens 2,4(1H,3H)-Pyrimidinedione, 6-[(2-aminoethyl)amino]-5-chloro-, hydrochloride (1:1)

2,4(1H,3H)-Pyrimidinedione, 6-[(2-aminoethyl)amino]-5-chloro-, hydrochloride (1:1)

CAS No.:
399549-96-3
Catalog Number:
AG003A38
Molecular Formula:
C6H10Cl2N4O2
Molecular Weight:
241.0752
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Product Description
Catalog Number:
AG003A38
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-[(2-aminoethyl)amino]-5-chloro-, hydrochloride (1:1)
CAS Number:
399549-96-3
Molecular Formula:
C6H10Cl2N4O2
Molecular Weight:
241.0752
IUPAC Name:
6-(2-aminoethylamino)-5-chloro-1,3-diazinane-2,4-dione;hydrochloride
InChI:
InChI=1S/C6H11ClN4O2.ClH/c7-3-4(9-2-1-8)10-6(13)11-5(3)12;/h3-4,9H,1-2,8H2,(H2,10,11,12,13);1H
InChI Key:
OBQVZHSMMHDXRX-UHFFFAOYSA-N
SMILES:
NCCNc1[nH]c(=O)[nH]c(=O)c1Cl.Cl
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.034g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
243.088g/mol
Monoisotopic Mass:
242.034g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties