Basic information
- CAS
15639-51-7- Standard SMILES
CCOC(=O)c1ccc(N=C(N)N)cc1- InChIKey
WCBGYTIRMLODMA-UHFFFAOYSA-N- Molecular formula
- C10H13N3O2
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.10077667
Names & identifiers
- Preferred name
- Ethyl 4-(diaminomethylideneamino)benzoate
- IUPAC
- ethyl 4-(diaminomethylideneamino)benzoate
- English name
- ethyl 4-{[amino(imino)methyl]amino}benzoate
- Molecular formula
- C10H13N3O2
- Molecular weight
- 207.23
Names & synonyms
15639-51-7ethyl 4-(diaminomethylideneamino)benzoateethyl 4-carbamimidamidobenzoateEthyl 4-guanidinobenzoateETHYL 4-([AMINO(IMINO)METHYL]AMINO)BENZOATEETHYL 4-{[AMINO(IMINO)METHYL]AMINO}BENZOATEethyl p-guanidinobenzoateSCHEMBL6339534CHEMBL1161463SCHEMBL24087906DTXSID00274966AKOS015957310
Show more names
Naphthalmostat 14Nafamostat Impurity BGuanidobenzoic acid impurity 5Nafamostat Mesilate Impurity 98ethyl4-(diaminomethylideneamino)benzoateethyl 4-{[amino(imino)methyl]amino}benzoatBenzoic acid, 4-[(aminoiminomethyl)amino]-, ethyl ester
WS-02225DB-142340Metformin Impurity 46; Nafamostat Impurity BE72126EN300-236615ETHYL4-([AMINO(IMINO)METHYL]AMINO)BENZOATEETHYL 4-[(DIAMINOMETHYLIDENE)AMINO]BENZOATEF2158-0689
Database identifiers
- CAS
15639-51-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Melting point
- 224 · 224-225 °C
- Boiling point
- 332.2 · 332.2±44.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 10.35 · 10.35±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers14 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海丸全化学科技有限公司18721745940 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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