Basic information
- CAS
502138-21-8- Standard SMILES
CN=C(N)c1ccc(N)cc1- InChIKey
VKVOKQVQYFPPRR-UHFFFAOYSA-N- Molecular formula
- C8H11N3
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.09529736
Names & identifiers
- Preferred name
- 4-amino-N'-methylbenzenecarboximidamide
- IUPAC
- 4-amino-N'-methylbenzenecarboximidamide
- English name
- Benzenecarboximidamide, 4-amino-N-methyl- (9CI)
- Molecular formula
- C8H11N3
- Molecular weight
- 149.19
Names & synonyms
502138-21-84-amino-N'-methylbenzenecarboximidamideBENZENECARBOXIMIDAMIDE, 4-AMINO-N-METHYL-SCHEMBL15653055SCHEMBL15653057DTXSID403311484-Amino-N'-methylbenzene-1-carboximidamideDB-274003Benzenecarboximidamide, 4-amino-N-methyl- (9CI)
Database identifiers
- CAS
502138-21-8- PubChem CID
- 435758
- DTXSID
DTXSID40331148
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Physicochemical properties
- Boiling point
- 263.8 · 263.8±42.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 13.36 · 13.36±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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