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18228-99-4 | Phosphoramidic acid, bis(2-chloroethyl)-, monomethyl ester, compd. with cyclohexanamine (1:1) (9CI)
CAS No: 18228-99-4 Catalog No: AG0023JY MDL No:
Product Description
Catalog Number:
AG0023JY
Chemical Name:
Phosphoramidic acid, bis(2-chloroethyl)-, monomethyl ester, compd. with cyclohexanamine (1:1) (9CI)
CAS Number:
18228-99-4
Molecular Formula:
C11H25Cl2N2O3P
Molecular Weight:
335.2076
IUPAC Name:
N,N-bis(2-chloroethyl)-methoxyphosphonamidic acid;cyclohexanamine
InChI:
InChI=1S/C6H13N.C5H12Cl2NO3P/c7-6-4-2-1-3-5-6;1-11-12(9,10)8(4-2-6)5-3-7/h6H,1-5,7H2;2-5H2,1H3,(H,9,10)
InChI Key:
CRQJSSPFNFVWTO-UHFFFAOYSA-N
SMILES:
NC1CCCCC1.ClCCN(P(=O)(OC)O)CCCl
NSC Number:
72509
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.206g/mol
Monoisotopic Mass:
334.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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