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18229-02-2 | Phosphoramidic acid, bis(2-chloroethyl)-, mononeopentyl ester, compd. with cyclohexylamine (1:1) (8CI)
CAS No: 18229-02-2 Catalog No: AG0023KY MDL No:
Product Description
Catalog Number:
AG0023KY
Chemical Name:
Phosphoramidic acid, bis(2-chloroethyl)-, mononeopentyl ester, compd. with cyclohexylamine (1:1) (8CI)
CAS Number:
18229-02-2
Molecular Formula:
C15H33Cl2N2O3P
Molecular Weight:
391.3139
IUPAC Name:
N,N-bis(2-chloroethyl)-(2,2-dimethylpropoxy)phosphonamidic acid;cyclohexanamine
InChI:
InChI=1S/C9H20Cl2NO3P.C6H13N/c1-9(2,3)8-15-16(13,14)12(6-4-10)7-5-11;7-6-4-2-1-3-5-6/h4-8H2,1-3H3,(H,13,14);6H,1-5,7H2
InChI Key:
FLOQPMAZBBZOHZ-UHFFFAOYSA-N
SMILES:
NC1CCCCC1.ClCCN(P(=O)(OCC(C)(C)C)O)CCCl
NSC Number:
72508
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.161g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
391.314g/mol
Monoisotopic Mass:
390.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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