Basic information
- CAS
6326-44-9- Standard SMILES
CCOC(=O)C(NC=O)C(=O)OCC- InChIKey
PFLHGSJLYNJIOF-UHFFFAOYSA-N- Molecular formula
- C8H13NO5
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.07937252
Names & identifiers
- Preferred name
- Diethyl formamidomalonate
- IUPAC
- diethyl 2-formamidopropanedioate
- English name
- Diethyl formamidomalonate
- Molecular formula
- C8H13NO5
- Molecular weight
- 203.19
Names & synonyms
Diethyl formamidomalonate6326-44-9EINECS 228-692-1DTXSID00212646NSC 30639NSC 224129RefChem:587224DTXCID30135137228-692-1Diethyl 2-formamidomalonatediethyl 2-formamidopropanedioateDiethyl formaminomalonate
Show more names
LABOTEST-BB LT00452609DiethylFormaminomalonate>Diethyl formamidomalonate,97%Diethyl=(formylamino)malonateDiethyl formamidomalonate 97%iethyl2-formamidopropanedioate
Propanedioic acid, (formylamino)-, diethyl esterNSC-30639NSC-224129diethyl 2-formylaminomalonatediethyl 2-carbonylaminopropane-1,3-dioateFormamidomalonic acid, diethyl esterMFCD00003279Malonic acid, formamido-, diethyl ester
Database identifiers
- CAS
6326-44-9- PubChem CID
- 80617
- DTXSID
DTXSID00212646- UNII
- Y7L2DV3QUN
- EC Number
- 228-692-1
- Nikkaji
- J206.924E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionWhite to light yellow solid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 53 · 53-55 °C(lit.)
- Boiling point
- 173 · 173-176 °C11 mm Hg(lit.)
- Density
- 1.3421 · 1.3421 (rough estimate)
- refractive index
- 1.475 · 1.4750 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- pka
- 11.85 · 11.85±0.59(Predicted)
- form
- Adhering Crystalline Powder
- color
- White
- Sensitive
- Moisture & Light Sensitive
- BRN
- 1788903 · 1788903
- InChI
Safety & regulation
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
Related reactions
10 records
Compound notes
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