Basic information
- CAS
5415-72-5- Standard SMILES
NC(=NCc1ccccc1)N[N+](=O)[O-]- InChIKey
WCCBIXJPHUFQOF-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.08037557
Names & identifiers
- Preferred name
- Guanidine, N-nitro-N'-(phenylmethyl)-
- IUPAC
- 2-benzyl-1-nitroguanidine
Names & synonyms
5415-72-5Guanidine, N-nitro-N'-(phenylmethyl)-Guanidine, 1-benzyl-3-nitro-1-benzyl-3-nitroguanidine2-benzyl-1-nitroguanidineNSC 103863-benzyl-1-nitroguanidineAI3-61657WLN: WNMYUM&M1R1-benzyl-3-nitro-guanidine2-benzyl-1-nitro-guanidineN''-Benzyl-N-nitroguanidine
Show more names
SCHEMBL1817029SCHEMBL27887659DTXSID10202497WCCBIXJPHUFQOF-UHFFFAOYSA-NNSC10386NSC-10386AKOS040768274NS00032979
Database identifiers
- CAS
5415-72-5- PubChem CID
- 79438
- DTXSID
DTXSID10202497- EC Number
- 611-102-5
- Nikkaji
- J1.412.833F
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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