Basic information
- CAS
37591-27-8- Standard SMILES
CC(C)(C=O)CN1CCCCC1- InChIKey
VWOLCOPMYXCKGO-UHFFFAOYSA-N- Molecular formula
- C10H19NO
- Average molar mass
- 169.26 g/mol
- Monoisotopic mass
- 169.14666423
Names & identifiers
- Preferred name
- 2,2-Dimethyl-3-(piperidin-1-yl)propanal
- IUPAC
- 2,2-dimethyl-3-piperidin-1-ylpropanal
- English name
- 1-piperidinepropanal, alpha,alpha-dimethyl-
- Molecular formula
- C10H19NO
- Molecular weight
- 169.26
Names & synonyms
2,2-dimethyl-3-(piperidin-1-yl)propanal37591-27-82,2-dimethyl-3-piperidin-1-ylpropanalMFCD00457347SCHEMBL342302BBL018082STK897785AKOS005173878SB430412,2-Dimethyl-3-(1-piperidyl)propanalVS-066771-piperidinepropanal, alpha,alpha-dimethyl-
Show more names
BAS 019211291-Piperidinepropanal, α,α-dimethyl-2,2-dimethyl-3-piperidino-propionaldehyde
P18637FT-0750356SCHEMBL7288163ALBB-012799DA-27491SY317588F369415
Database identifiers
- CAS
37591-27-8- PubChem CID
- 3135970
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Boiling point
- 95 °C · 95 °C(Press: 12 Torr)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 8.85 · 8.85±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
Chemistry & industry
Suppliers8 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [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]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…