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2937-31-7 | Phosphinic amide, P,P-bis(1-aziridinyl)-N-(4-methyl-2-pyrimidinyl)- (7CI,8CI,9CI)
CAS No: 2937-31-7 Catalog No: AG002Y6M MDL No:
Product Description
Catalog Number:
AG002Y6M
Chemical Name:
Phosphinic amide, P,P-bis(1-aziridinyl)-N-(4-methyl-2-pyrimidinyl)- (7CI,8CI,9CI)
CAS Number:
2937-31-7
Molecular Formula:
C9H14N5OP
Molecular Weight:
239.2141
IUPAC Name:
N-[bis(aziridin-1-yl)phosphoryl]-4-methylpyrimidin-2-amine
InChI:
InChI=1S/C9H14N5OP/c1-8-2-3-10-9(11-8)12-16(15,13-4-5-13)14-6-7-14/h2-3H,4-7H2,1H3,(H,10,11,12,15)
InChI Key:
JPOUGGYRIOZAQQ-UHFFFAOYSA-N
SMILES:
Cc1ccnc(n1)NP(=O)(N1CC1)N1CC1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.094g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.219g/mol
Monoisotopic Mass:
239.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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