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18144-64-4 | 1H-Azepine, 1-[bis(1-aziridinyl)phosphinyl]hexahydro-
CAS No: 18144-64-4 Catalog No: AG0022VY MDL No:
Product Description
Catalog Number:
AG0022VY
Chemical Name:
1H-Azepine, 1-[bis(1-aziridinyl)phosphinyl]hexahydro-
CAS Number:
18144-64-4
Molecular Formula:
C10H20N3OP
Molecular Weight:
229.2591
IUPAC Name:
1-[bis(aziridin-1-yl)phosphoryl]azepane
InChI:
InChI=1S/C10H20N3OP/c14-15(12-7-8-12,13-9-10-13)11-5-3-1-2-4-6-11/h1-10H2
InChI Key:
ZCBLIQKVTTZLAH-UHFFFAOYSA-N
SMILES:
O=P(N1CC1)(N1CC1)N1CCCCCC1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.134g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.264g/mol
Monoisotopic Mass:
229.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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