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Home > Other Heterocycles > 138800-17-6
138800-17-6 | 2,5,8,9-Tetraaza-1-phosphabicyclo[3.3.3]undecane, 2,8,9-trimethyl-, hydrochloride (1:1)
CAS No: 138800-17-6 Catalog No: AG0019LX MDL No:
Product Description
Catalog Number:
AG0019LX
Chemical Name:
2,5,8,9-Tetraaza-1-phosphabicyclo[3.3.3]undecane, 2,8,9-trimethyl-, hydrochloride (1:1)
CAS Number:
138800-17-6
Molecular Formula:
C9H22ClN4P
Molecular Weight:
252.7245
IUPAC Name:
2,8,9-trimethyl-2,5,8,9-tetraza-1-phosphabicyclo[3.3.3]undecane;hydrochloride
InChI:
InChI=1S/C9H21N4P.ClH/c1-10-4-7-13-8-5-11(2)14(10)12(3)6-9-13;/h4-9H2,1-3H3;1H
InChI Key:
QKTVLAVMLZQIEI-UHFFFAOYSA-N
SMILES:
CN1CCN2CCN(P1N(C)CC2)C.Cl
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.727g/mol
Monoisotopic Mass:
252.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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