Sulfuric acid--N-[3-(2,5-dimethylanilino)-2-hydroxypropyl]guanidine (1/1)
Basic information
- CAS
67427-69-4- Standard SMILES
Cc1ccc(C)c(NCC(O)CN=C(N)N)c1.O=S(=O)(O)O- InChIKey
KKGBEMRBVWXBGQ-UHFFFAOYSA-N- Molecular formula
- C12H22N4O5S
- Average molar mass
- 334.39 g/mol
- Monoisotopic mass
- 334.13109099
Overview
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Names & identifiers
- Preferred name
- Sulfuric acid--N-[3-(2,5-dimethylanilino)-2-hydroxypropyl]guanidine (1/1)
- IUPAC
- 2-[3-(2,5-dimethylanilino)-2-hydroxypropyl]guanidine;sulfuric acid
Names & synonyms
DTXSID00986698Sulfuric acid--N-[3-(2,5-dimethylanilino)-2-hydroxypropyl]guanidine (1/1)
Database identifiers
- CAS
67427-69-4- PubChem CID
- 15564367
- DTXSID
DTXSID00986698
Properties
Computed structural properties
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
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Compound notes
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