Basic information
- CAS
24771-25-3- Standard SMILES
COC(=NC#N)OC- InChIKey
ZOKYZTUQSVAKHS-UHFFFAOYSA-N- Molecular formula
- C4H6N2O2
- Average molar mass
- 114.1 g/mol
- Monoisotopic mass
- 114.04292743
Names & identifiers
- Preferred name
- Carbonimidic acid, N-cyano-, dimethyl ester
- IUPAC
- dimethoxymethylidenecyanamide
- English name
- Dimethyl cyanocarbonimidate
- Molecular formula
- C4H6N2O2
- Molecular weight
- 114.1
Names & synonyms
Dimethyl cyanocarbonimidate24771-25-3Carbonimidic acid, cyano-, dimethyl esterDimethyl (N-cyanoimido)carbonateCarbonimidic acid, N-cyano-, dimethyl esterDimidocarbonic acid, cyano-, dimethyl esterEINECS 246-454-5BRN 1852979SK&F 107533Imidocarbonic acid, cyano-, dimethyl esterDTXSID9067019RefChem:123614
Show more names
sk&f107533CimetidineImpurity7DIMETHYL-N-CYANOIMIDOCARBONATEcyano-carbonimidicacidimethylestercyano-imidocarbonicacidimethylestercyano-dimidocarbonicacidimethylester
DTXCID6037144Imidocarbonic acid, cyano-, dimethyl ester (8CI)dimethoxymethylidenecyanamidemethyl N-cyanomethoxycarboximidateDimethyl cyanoimidocarbonateCimetidine Impurity 17SCHEMBL3400994MFCD00144864
Database identifiers
- CAS
24771-25-3- PubChem CID
- 90604
- DTXSID
DTXSID9067019- EC Number
- 246-454-5
- Nikkaji
- J286.392H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- solubility
- DMSO; Methanol; Water
- form
- Solid
- color
- White
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Carbonimidic acid, cyano-, dimethyl ester (24771-25-3)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H319-H312-H228-H315-H335
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P240-P241-P280-P370+P378
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesFlam. Sol. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H332-H302-H319-H312-H228-H315-H335
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P240-P241-P280-P370+P378
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonimidic acid, N-cyano-, dimethyl ester: INACTIVE
Applications
UsesDimethyl (N-Cyanoimido)carbonate is an intermediate in the synthesis of N-Cyano-N''-[2-[[(5-methyl-1H-imidazol-4-yl)methyl]thio]ethyl]-carbamimidic Acid Methyl Ester (C988063), an impurity of Cimetidine (C441650). Cimetidine acts as a competitive histamine H2-receptor antagonist which inhibits gastric acid secretion and reduces pepsin output (1).
Upstream & downstream products
Downstream products
Suppliers11 total
济南百隆化学有限公司[email protected] · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
苏州名德生物科技有限公司13915541704 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
武汉泰易成生化药业有限公司027-88320699 ;15307126061 · [email protected]
Related reactions
6 records
Compound notes
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