Basic information
- CAS
25412-75-3- Standard SMILES
N=C(N)c1ccc([N+](=O)[O-])cc1- InChIKey
RNYJYWQMEZWWPT-UHFFFAOYSA-N- Molecular formula
- C7H7N3O2
- Average molar mass
- 165.15 g/mol
- Monoisotopic mass
- 165.05382646
Names & identifiers
- Preferred name
- 4-Nitrobenzamidine
- IUPAC
- 4-nitrobenzenecarboximidamide
- English name
- 4-nitrobenzamidine
- Molecular formula
- C7H7N3O2
- Molecular weight
- 165.15
Names & synonyms
4-Nitrobenzamidine25412-75-34-nitrobenzenecarboximidamideBenzenecarboximidamide, 4-nitro-YE6GJ3QK3XEINECS 246-952-2BENZAMIDINE, P-NITRO-BENZAMIDINE, 4-NITRO-DTXSID20180075RefChem:100040DTXCID30102566246-952-2
Show more names
4-Nitrobenzenecarbimide amide
4-nitrobenzimidamidep-Nitrobenzamidine4-NITROBENZENE-1-CARBOXIMIDAMIDE4-Nitro-benzamidineBenzenecarboximidamide,4-nitro-CTK4F5697UNII-YE6GJ3QK3XSCHEMBL628983
Database identifiers
- CAS
25412-75-3- PubChem CID
- 117475
- DTXSID
DTXSID20180075- ChEMBL
CHEMBL3350787- UNII
- YE6GJ3QK3X
- EC Number
- 246-952-2
- Nikkaji
- J247.006C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 191
Physicochemical properties
- FDA UNII
- 6 GJ3QK3X · YE6GJ3QK3X
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
Nanjing Kaitian Chemical Co., LTD+86-13337816511 +86-13337835376 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
南京凯天化工有限公司15951673915
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
6 records
Compound notes
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