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Basic information
- CAS
75231-21-9- Standard SMILES
COc1cc(C(=O)OCCC[NH2+]C(=N)N)cc(OC)c1OC.[Cl-]- InChIKey
QFRJAOLHYPXSEX-UHFFFAOYSA-N- Molecular formula
- C14H22ClN3O5
- Average molar mass
- 347.79 g/mol
- Monoisotopic mass
- 347.1247985
Names & identifiers
- Preferred name
- 3-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)
- IUPAC
- carbamimidoyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]azanium chloride
Names & synonyms
75231-21-9DTXSID109967033-Carbamimidamidopropyl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)RefChem:1067524DTXCID0014237163,4,5-Trimethoxybenzoic acid 3-guanidinopropyl ester monohydrochlorideBENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-GUANIDINOPROPYL ESTER, MONOHYDROCHLORIDE
Database identifiers
- CAS
75231-21-9- PubChem CID
- 53207
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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