Basic information
- CAS
68981-86-2- Standard SMILES
CC1(C)COC(c2cccnc2)=N1- InChIKey
XYABHURTMBEOGW-UHFFFAOYSA-N- Molecular formula
- C10H12N2O
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.09496301
Overview
4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole is a member of pyridines.
Names & identifiers
- Preferred name
- 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole
- IUPAC
- 4,4-dimethyl-2-pyridin-3-yl-5H-1,3-oxazole
- English name
- 4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OXAZOLE
- Molecular formula
- C10H12N2O
- Molecular weight
- 176.22
Names & synonyms
68981-86-24,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole4,4-dimethyl-2-(pyridin-3-yl)-4,5-dihydrooxazole3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine4,4-dimethyl-2-pyridin-3-yl-5H-1,3-oxazoleMFCD013132204,5-Dihydro-4,4-dimethyl-2-(pyrid-3-yl)oxazolePyridine, 3-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-4,4-dimethyl-2-(3-pyridyl)-5H-oxazole4,4-dimethyl-2-(3-pyridyl)-1,3-oxazoline3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)pyridineorb3031520
Show more names
4,4-dimethyl-2-(3-pyridinyl)-5H-oxazole4,5-DIHYDRO-4,4-DIMETHYL-2-(3-PYRIDYL)OX3-(4,4-Dimethyl-2-oxazolinyl)pyridine,97%3-(4,4-DiMethyl-2-oxazolinyl)pyridine, 97%PYRIDINE,3-(4,5-DIHYDRO-4,4-DIMETHYL-2-OXAZOLYL)
SCHEMBL2200687SCHEMBL4792824DTXSID20371148CHEBI:182552XYABHURTMBEOGW-UHFFFAOYSA-NFr12291SBB058941AKOS000279359
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 25 · 25-27℃
- Boiling point
- 89 · 89-91 °C(Press: 0.65 Torr)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- 4.13 · 4.13±0.12(Predicted)
- Sensitive
- Air Sensitive
- CAS DataBase Reference
- 68981 · 68981-86-2(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
4 records
Compound notes
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