N-(2-Methyl-5-nitrophenyl)guanidine
Basic information
- CAS
152460-07-6- Standard SMILES
Cc1ccc([N+](=O)[O-])cc1N=C(N)N- InChIKey
LAZBONZCMJREIQ-UHFFFAOYSA-N- Molecular formula
- C8H10N4O2
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.08037557
Names & identifiers
- Preferred name
- N-(2-Methyl-5-nitrophenyl)guanidine
- IUPAC
- 2-(2-methyl-5-nitrophenyl)guanidine
- English name
- Guanidine,(2-methyl-5-nitrophenyl)
- Molecular formula
- C8H10N4O2
- Molecular weight
- 194.19
Names & synonyms
n-(2-methyl-5-nitrophenyl)guanidineRefChem:8256021-(2-METHYL-5-NITROPHENYL)GUANIDINE2-(2-methyl-5-nitrophenyl)guanidineGuanidine,(2-methyl-5-nitrophenyl)N''-(2-methyl-5-nitrophenyl)guanidine2-METHYL-5-NITROPHENYLGUANIDINEImatinib Impurity 45SCHEMBL1583292SCHEMBL2694958SCHEMBL30078131(2-methyl-5-nitrophenyl)guanidine
Show more names
Imatinib Impurity 71methyl-5-nitrophenyl-guanidine(2-methyl-5-nitrophenyl)nitrate
59954WJ5UAMFCD03410285AKOS006280007Guanidine, (2-methyl-5-nitrophenyl)-MB02715Guanidine, N-(2-methyl-5-nitrophenyl)-SY020197DB-063944
Database identifiers
- CAS
152460-07-6- PubChem CID
- 11528992
- UNII
- 59954WJ5UA
- Nikkaji
- J3.562.571B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 216 · 216-218 °C
- Boiling point
- 326.4 · 326.4±52.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 9.73 · 9.73±0.70(Predicted)
- InChI
- InChI=1S/C8H10N4O2/c1-5-2-3-6(12(13)14)4-7(5)11-8(9)10/h2-4H,1H3,(H4,9,10,11)
- InChIKey
- LAZBONZCMJREIQ-UHFFFAOYSA-N
- SMILES
- N(C1=CC([N+]([O-])=O)=CC=C1C)C(=N)N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H319-H412
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P501
- REACH Registrations
- Inactive
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317-H319-H412
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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