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6986-87-4 | Phosphoramidic acid,(aminoiminomethyl)-, dibutyl ester (9CI)
CAS No: 6986-87-4 Catalog No: AG005HB4 MDL No:
Product Description
Catalog Number:
AG005HB4
Chemical Name:
Phosphoramidic acid,(aminoiminomethyl)-, dibutyl ester (9CI)
CAS Number:
6986-87-4
Molecular Formula:
C9H22N3O3P
Molecular Weight:
251.2630
IUPAC Name:
2-dibutoxyphosphorylguanidine
InChI:
InChI=1S/C9H22N3O3P/c1-3-5-7-14-16(13,12-9(10)11)15-8-6-4-2/h3-8H2,1-2H3,(H4,10,11,12,13)
InChI Key:
RJRCZTWPCPVDFK-UHFFFAOYSA-N
SMILES:
CCCCOP(=O)(N=C(N)N)OCCCC
NSC Number:
95198
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.14g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.267g/mol
Monoisotopic Mass:
251.14g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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