Sulfuric acid--1-(2-methylphenyl)propan-2-amine (1/2)
Basic information
- CAS
64057-75-6- Standard SMILES
Cc1ccccc1CC(C)N.Cc1ccccc1CC(C)N.O=S(=O)(O)O- InChIKey
NAUSGXNUKIUWFW-UHFFFAOYSA-N- Molecular formula
- C20H32N2O4S
- Average molar mass
- 396.5 g/mol
- Monoisotopic mass
- 396.20827868
Names & identifiers
- Preferred name
- Sulfuric acid--1-(2-methylphenyl)propan-2-amine (1/2)
- IUPAC
- bis(1-(2-methylphenyl)propan-2-amine);sulfuric acid
Names & synonyms
DTXSID3098246164057-75-6Sulfuric acid--1-(2-methylphenyl)propan-2-amine (1/2)RefChem:1099251DTXCID3014097232-Methylphenisopropylamine sulfatePhenethylamine, o,alpha-dimethyl-, sulfate (2:1)
Database identifiers
- CAS
64057-75-6- PubChem CID
- 115807
- DTXSID
DTXSID30982461
Properties
Computed structural properties
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 193
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Compound notes
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