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850-21-5 | (3,3-DIPHENYLPROPOXY)GUANIDINE NITRATE
CAS No: 850-21-5 Catalog No: AG0050OS MDL No:
Product Description
Catalog Number:
AG0050OS
Chemical Name:
(3,3-DIPHENYLPROPOXY)GUANIDINE NITRATE
CAS Number:
850-21-5
Molecular Formula:
C16H20N4O4
Molecular Weight:
332.3544
IUPAC Name:
2-(3,3-diphenylpropoxy)guanidine;nitric acid
InChI:
InChI=1S/C16H19N3O.HNO3/c17-16(18)19-20-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;2-1(3)4/h1-10,15H,11-12H2,(H4,17,18,19);(H,2,3,4)
InChI Key:
JJOVUDDRCBQDFI-UHFFFAOYSA-N
SMILES:
NC(=N)NOCCC(c1ccccc1)c1ccccc1.[O-][N+](=O)O
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
332.36g/mol
Monoisotopic Mass:
332.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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