Basic information
- CAS
89022-12-8- Standard SMILES
C=CCc1ccc(OC(=O)c2ccc(N=C(N)N)cc2)c(OC)c1- InChIKey
PLAZRHIWSZYQOZ-UHFFFAOYSA-N- Molecular formula
- C18H19N3O3
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.14264148
Names & identifiers
- Preferred name
- 2-Methoxy-4-(2-propen-1-yl)phenyl 4-((aminoiminomethyl)amino)benzoate
- IUPAC
- (2-methoxy-4-prop-2-enylphenyl) 4-(diaminomethylideneamino)benzoate
Names & synonyms
ST27EF2LS289022-12-8BENZOIC ACID, 4-((AMINOIMINOMETHYL)AMINO)-, 2-METHOXY-4-(2-PROPENYL)PHENYL ESTER2-Methoxy-4-(2-propen-1-yl)phenyl 4-((aminoiminomethyl)amino)benzoate2-Methoxy-4-(2-propen-1-yl)phenyl 4-[(aminoiminomethyl)amino]benzoateBenzoic acid, 4-[(aminoiminomethyl)amino]-, 2-methoxy-4-(2-propenyl)phenyl esterRefChem:1063573BRN 5610444p-Guanidinobenzoic acid 4-allyl-2-methoxyphenyl ester2'-Methoxy-4'-allylphenyl 4-guanidinobenzoateCHEMBL149157SCHEMBL7318743
Show more names
Benzoic acid, p-guanidino-, 4-allyl-2-methoxyphenyl esterDTXSID2010086214-((Aminoiminomethyl)amino)benzoic acid 2-methoxy-4-(2-propenyl)phenyl ester2-Methoxy-4-(prop-2-en-1-yl)phenyl 4-carbamimidamidobenzoateBenzoic acid, 4-[(aminoiminomethyl)amino]-, 2-methoxy-4-(2-propen-1-yl)phenyl ester
Database identifiers
- CAS
89022-12-8- PubChem CID
- 55907
- DTXSID
DTXSID201008621
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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