Basic information
- CAS
68133-56-2- Standard SMILES
CC1(C)CC(N)CC(C)(CN)C1.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
ZBVBXDSQFYHMPD-UHFFFAOYSA-N- Molecular formula
- C17H30N2O3S
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.197714
Names & identifiers
- Preferred name
- Cyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)
- IUPAC
- 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;4-methylbenzenesulfonic acid
Names & synonyms
EINECS 268-688-768133-56-2p-Toluene sulfonic acid isophoronediamine saltCyclohexanemethanamine, 5-amino-1,3,3-trimethyl-, 4-methylbenzenesulfonateCyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?)RefChem:129577SCHEMBL868150DTXSID20987622ZBVBXDSQFYHMPD-UHFFFAOYSA-N5-Amino-1,3,3-trimethylcyclohexanemethylamine toluene-p-sulphonate4-Methylbenzene-1-sulfonic acid--3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine (1/1)
Database identifiers
- CAS
68133-56-2- PubChem CID
- 109151
- DTXSID
DTXSID20987622- EC Number
- 268-688-7
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 372
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCyclohexanemethanamine, 3-amino-1,5,5-trimethyl-, 4-methylbenzenesulfonate (1:?): INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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