Basic information
- CAS
1269400-04-5- Standard SMILES
COc1cc(N=CN(C)C)c(C#N)cc1[N+](=O)[O-]- InChIKey
KRQJJPTWQAWICH-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3
- Average molar mass
- 248.24 g/mol
- Monoisotopic mass
- 248.09094026
Overview
See other relationships...
Names & identifiers
- Preferred name
- N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylformimidamide
- IUPAC
- N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylmethanimidamide
- English name
- N'-(2-cyano-5-Methoxy-4-nitrophenyl)-N,N-diMethylforMiMidaMide
- Molecular formula
- C11H12N4O3
- Molecular weight
- 248.24
Names & synonyms
1269400-04-5N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylformimidamideMethanimidamide, N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethyl-N'-(2-Cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylmethanimidamideMFCD19704846SCHEMBL29395032DTXSID40693273(E)-N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylformimidamideAKOS015891286AS-75540G79180N/'-(2-cyano-5-Methoxy-4-nitrophenyl)-N,N-diMethylforMiMidaMide
Show more names
N'-(2-cyano-5-Methoxy-4-nitrophenyl)-N,N-dimethylaminoide(E)-N'-(2-cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylformamidineN-(2-cyano-5-Methoxy-4- nitrophenyl)-N,N- diMethylforMtitMidaMide
Na(2)-(2-Cyano-5-methoxy-4-nitrophenyl)-N,N-dimethylmethanimidamide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 94.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 442.4 · 442.4±55.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.19 · 4.19±0.50(Predicted)
- InChI
- InChI=1S/C11H12N4O3/c1-14(2)7-13-9-5-11(18-3)10(15(16)17)4-8(9)6-12/h4-5,7H,1-3H3
- InChIKey
- KRQJJPTWQAWICH-UHFFFAOYSA-N
- SMILES
- C(N(C)C)=NC1=CC(OC)=C([N+]([O-])=O)C=C1C#N
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Hazard statements
- H301
- REACH Registrations
- Active
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesN'-(2-cyano-5-Methoxy-4-nitrophenyl)-N,N-diMethylforMiMidaMide is used as a dacomitinib intermediate.
Suppliers40 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
Related reactions
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Compound notes
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