Basic information
- CAS
19805-75-5- Standard SMILES
CC1(C)C=C(C(N)=O)C(C)(C)N1- InChIKey
ACFYUJLIWIDSFM-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Overview
2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide is a pyrroline.
Names & identifiers
- Preferred name
- 1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-
- IUPAC
- 2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
- English name
- 2,2,5,5-TETRAMETHYL-3-PYRROLINE-3-CARBOXAMIDE
- Molecular formula
- C9H16N2O
- Molecular weight
- 168.24
Names & synonyms
19805-75-51H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-2,5-Dihydro-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolineEINECS 243-331-8DTXSID80885099RefChem:439221DTXCID501024501243-331-82,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxamide2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Show more names
2,2,5,5-Tetramethyl-3-pyrrolidinecarboxamide2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide 99%2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide,99%2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-carboxamide2,5-dihydro-2,2,5,5-tetramethyl-1h-pyrrole-3-carboxamid
MFCD00041846Maybridge3_0004403-Aminocarbonyl-2,2,5,5-tetramethyl-3-pyrrolineB6H8WY625DSCHEMBL5551221ACFYUJLIWIDSFM-UHFFFAOYSA-NCHEBI:1837061H-Pyrrole-3-carboxamide,2,5-dihydro-2,2,5,5-tetramethyl-
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 180 · 180-182 °C(lit.)
- Boiling point
- 297.19 °C · 297.19°C (rough estimate)
- Density
- 1.0404 · 1.0404 (rough estimate)
- refractive index
- 1.4922 · 1.4922 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Off-White to Light Orange
- Water Solubility
- Slightly soluble in water.
- InChI
- 1S/C9H16N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h5,11H,1-4H3,(H2,10,12)
- InChIKey
- ACFYUJLIWIDSFM-UHFFFAOYSA-N
- SMILES
- CC1(C)NC(C)(C)C(=C1)C(N)=O
- CAS DataBase Reference
- 19805 · 19805-75-5(CAS DataBase Reference)
- EPA Substance Registry System
- 1 H-Pyrrole-3-carboxamide, · 1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl- (19805-75-5)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-: INACTIVE
Applications
Uses2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide may be used in the synthesis of 2,2,5,5-tetramethyl-3-pyrrolidinecarboxamide and 3-carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy free radical.
Uses2,2,5,5-TetraMethyl-3-pyrroline-3-carboxamide is a useful synthetic intermediate.
General Description2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide is a carboxamide of a hydrogenated pyrrole derivative. It is a sterically hindered amino compound having amino alkyl side chain. The antiarrhythmic activity of some of the derivatives of 2,2,5,5-tetramethyl-3-pyrroline-3-carboxamide have been evaluated.
Suppliers38 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
VladaChem GmbH+49-7246-3082843 +86-18411632868 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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