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Basic information
- CAS
75230-99-8- Standard SMILES
COc1cc(C(=O)OC2CCC([NH+]=C(N)N)CC2)cc(OC)c1OC.[Cl-]- InChIKey
SAFIHRZFMXQNRZ-UHFFFAOYSA-N- Molecular formula
- C17H26ClN3O5
- Average molar mass
- 387.9 g/mol
- Monoisotopic mass
- 387.1560986
Names & identifiers
- Preferred name
- 4-Carbamimidamidocyclohexyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- diaminomethylidene-[4-(3,4,5-trimethoxybenzoyl)oxycyclohexyl]azanium chloride
Names & synonyms
75230-99-8DTXSID309967004-Carbamimidamidocyclohexyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)RefChem:1070453DTXCID9014237133,4,5-Trimethoxybenzoic acid trans-4-guanidinocyclohexyl ester monohydrochlorideBenzoic acid, 3,4,5-trimethoxy-, 4-guanidinocyclohexyl ester, monohydrochloride, trans-
Database identifiers
- CAS
75230-99-8- PubChem CID
- 53201
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
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Compound notes
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