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10154-10-6 | 9H-Purine-6-methanamine, 2-chloro-N,N-bis(2-chloroethyl)-9-methyl-, hydrochloride (1:1)
CAS No: 10154-10-6 Catalog No: AG0004RD MDL No:
Product Description
Catalog Number:
AG0004RD
Chemical Name:
9H-Purine-6-methanamine, 2-chloro-N,N-bis(2-chloroethyl)-9-methyl-, hydrochloride (1:1)
CAS Number:
10154-10-6
Molecular Formula:
C11H15Cl4N5
Molecular Weight:
359.0823
IUPAC Name:
2-chloro-N-(2-chloroethyl)-N-[(2-chloro-9-methylpurin-6-yl)methyl]ethanamine;hydrochloride
InChI:
InChI=1S/C11H14Cl3N5.ClH/c1-18-7-15-9-8(16-11(14)17-10(9)18)6-19(4-2-12)5-3-13;/h7H,2-6H2,1H3;1H
InChI Key:
KFLTYWYINKCIDS-UHFFFAOYSA-N
SMILES:
ClCCN(Cc1nc(Cl)nc2c1ncn2C)CCCl.Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.076g/mol
Monoisotopic Mass:
357.008g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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