Ethyl 3-((aminoiminomethyl)amino)-4-methylbenzoate
Basic information
- CAS
641569-95-1- Standard SMILES
CCOC(=O)c1ccc(C)c(N=C(N)N)c1- InChIKey
OIYZSSUFKOQNFX-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.11642673
Names & identifiers
- Preferred name
- Ethyl 3-((aminoiminomethyl)amino)-4-methylbenzoate
- IUPAC
- ethyl 3-(diaminomethylideneamino)-4-methylbenzoate
- English name
- 3-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl ester
- Molecular formula
- C11H15N3O2
- Molecular weight
- 221.26
Names & synonyms
641569-95-1Ethyl 3-[(aminoiminomethyl)amino]-4-methylbenzoateEthyl 3-((aminoiminomethyl)amino)-4-methylbenzoateRefChem:3430903-[(Aminoiminomethyl)amino]-4-methylbenzoic acid ethyl esterethyl 3-(diaminomethylideneamino)-4-methylbenzoateBenzoic acid, 3-[(aminoiminomethyl)amino]-4-methyl-, ethyl esterNilotinib Impurity 35ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoateethyl 3-guanidino-4-methylbenzoateV9EV55D4BFSCHEMBL13530949
Show more names
2-Methyl-5-(ethylcarboxy)phenylguanidine
DTXSID401226871Ethyl 3-carbamimidamido-4-methylbenzoateDB-073449
Database identifiers
- CAS
641569-95-1- PubChem CID
- 44181765
- DTXSID
DTXSID401226871- UNII
- V9EV55D4BF
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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