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2937-35-1 | Phosphinic amide, P,P-bis(1-aziridinyl)-N-[4-(diethylamino)-2-pyrimidinyl]- (7CI,8CI,9CI)
CAS No: 2937-35-1 Catalog No: AG002Y6K MDL No:
Product Description
Catalog Number:
AG002Y6K
Chemical Name:
Phosphinic amide, P,P-bis(1-aziridinyl)-N-[4-(diethylamino)-2-pyrimidinyl]- (7CI,8CI,9CI)
CAS Number:
2937-35-1
Molecular Formula:
C12H21N6OP
Molecular Weight:
296.3085
IUPAC Name:
2-N-[bis(aziridin-1-yl)phosphoryl]-4-N,4-N-diethylpyrimidine-2,4-diamine
InChI:
InChI=1S/C12H21N6OP/c1-3-16(4-2)11-5-6-13-12(14-11)15-20(19,17-7-8-17)18-9-10-18/h5-6H,3-4,7-10H2,1-2H3,(H,13,14,15,19)
InChI Key:
DRIVVDQAZIMKDV-UHFFFAOYSA-N
SMILES:
CCN(c1ccnc(n1)NP(=O)(N1CC1)N1CC1)CC
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.151g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.315g/mol
Monoisotopic Mass:
296.151g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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