Basic information
- CAS
69781-69-7- Standard SMILES
CC(C)(C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1.[Cl-]- InChIKey
MXTWXDVUDCDPFM-UHFFFAOYSA-N- Molecular formula
- C17H27ClN2O2
- Average molar mass
- 326.9 g/mol
- Monoisotopic mass
- 326.1761058
Names & identifiers
- Preferred name
- 1-(Cyclohexylamino)-2-methylpropan-2-yl 4-aminobenzoate--hydrogen chloride (1/1)
- IUPAC
- [2-(4-aminobenzoyl)oxy-2-methylpropyl]-cyclohexylazanium chloride
Names & synonyms
DTXSID109900041-(Cyclohexylamino)-2-methylpropan-2-yl 4-aminobenzoate--hydrogen chloride (1/1)RefChem:1054625DTXCID80141711169781-69-7Benzoic acid, p-amino-, 2-(cyclohexylamino)-1,1-dimethylethyl ester, hydrochloridep-Aminobenzoic acid 2-(cyclohexylamino)-1,1-dimethylethyl ester hydrochlorideNSC 121037
Database identifiers
- CAS
69781-69-7- PubChem CID
- 50823
Properties
Computed structural properties
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…