Basic information
- CAS
19659-80-4- Standard SMILES
CNCc1ccc(S(=O)(=O)O)c(N)c1- InChIKey
RCSKWERUNIWHAD-UHFFFAOYSA-N- Molecular formula
- C8H12N2O3S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.05686324
Names & identifiers
- Preferred name
- 3-Amino-alpha-(methylamino)toluene-4-sulphonic acid
- IUPAC
- 2-amino-4-(methylaminomethyl)benzenesulfonic acid
- English name
- 3-amino-alpha-(methylamino)toluene-4-sulphonic acid
- Molecular formula
- C8H12N2O3S
- Molecular weight
- 216.26
Names & synonyms
19659-80-43-Amino-alpha-(methylamino)toluene-4-sulphonic acid3-Amino-alpha-(methylamino)toluene-4-sulfonic acid2-amino-4-(methylaminomethyl)benzenesulfonic acid2-amino-4-[(methylamino)methyl]benzenesulfonic acidEINECS 243-206-86V2QS7RU3GSCHEMBL46496522-amino-4-[(methylamino)methyl]benzene-1-sulfonic acidDTXSID20173326NS00026396Benzenesulfonic acid, 2-amino-4-[(methylamino)methyl]-
Show more names
3-amino-α-(methylamino)toluene-4-sulphonic acid3-amino-?-(methylamino)toluene-4-sulphonic acid
Database identifiers
- CAS
19659-80-4- PubChem CID
- 88187
- DTXSID
DTXSID20173326- UNII
- 6V2QS7RU3G
- EC Number
- 243-206-8
- Nikkaji
- J225.243K
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 273
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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