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Home > Nitro Compounds > 5415-72-5
5415-72-5 | 3-benzyl-1-nitroguanidine
CAS No: 5415-72-5 Catalog No: AG01EWEH MDL No:
Product Description
Catalog Number:
AG01EWEH
Chemical Name:
3-benzyl-1-nitroguanidine
CAS Number:
5415-72-5
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
IUPAC Name:
2-benzyl-1-nitroguanidine
InChI:
InChI=1S/C8H10N4O2/c9-8(11-12(13)14)10-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11)
InChI Key:
WCCBIXJPHUFQOF-UHFFFAOYSA-N
SMILES:
N=C(N[N+](=O)[O-])NCc1ccccc1
EC Number:
611-102-5
NSC Number:
10386
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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