Basic information
- CAS
86847-71-4- Standard SMILES
CC(C)(C)C(=O)Nc1ccncc1C=O- InChIKey
ICMXCEJBHWHTBH-UHFFFAOYSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- N-(3-formylpyridin-4-yl)-2,2-dimethylpropanamide
- IUPAC
- N-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamide
- English name
- N-(3-FORMYL-4-PYRIDINYL)-2,2-DIMETHYLPROPANAMIDE
- Molecular formula
- C11H14N2O2
- Molecular weight
- 206.24
Names & synonyms
86847-71-4N-(3-Formylpyridin-4-yl)pivalamideN-(3-formyl-4-pyridinyl)-2,2-dimethylpropanamideN-(3-formylpyridin-4-yl)-2,2-dimethylpropanamideN-(3-Formyl-pyridin-4-yl)-2,2-dimethyl-propionamideMFCD030862082,2-DIMETHYL-N-(3-FORMYLPYRIDIN-4-YL)PROPANAMIDEN-(3-formyl-4-pyridyl)-2,2-dimethyl-propanamideDTXSID30381490AKOS005259022AB13124EN300-133465
Show more names
N-(3-Formyl-4-pyridyl)-2,2-dimethylpropanamide4-[(2,2-Dimethylpropanoyl)amino]nicotinaldehyde4-Amino-pyridine-3-carbaldehyde trifluoroacetate4-[(2,2-Dimethylpropanoyl)amino]-3-formylpyridinePropanamide, N-(3-formyl-4-pyridinyl)-2,2-dimethyl-
FT-0629177SCHEMBL2513360ICMXCEJBHWHTBH-UHFFFAOYSA-NN-(3-Formyl-4-pyridyl)pivalamideBBL101470SBB093681STL555266PS-4414
Database identifiers
- CAS
86847-71-4
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 60 · 60-63°C
- Boiling point
- 406.1 · 406.1±30.0 °C(Predicted)
- Density
- 1.165 · 1.165±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 13.39 · 13.39±0.70(Predicted)
- form
- powder
- color
- Brown
- InChI
- 1S/C11H14N2O2/c1-11(2,3)10(15)13-9-4-5-12-6-8(9)7-14/h4-7H,1-3H3,(H,12,13,15)
- InChIKey
- ICMXCEJBHWHTBH-UHFFFAOYSA-N
- SMILES
- CC(C)(C)C(=O)Nc1ccncc1C=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
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
- wgk
- 3
- hs_code
- 29333990
- risk_code
- 36/37/38-43-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39-36/37-37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H319
- Hazard Classifications
- Eye Irrit. 2Skin Sens. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers41 total
上海康恩博医药科技有限公司17510465506 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安特希（苏州）生物科技有限公司19951207836
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河北松辰医药科技有限公司0319-5801333-8008 15630992918 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）
Related reactions
11 records
Compound notes
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