Basic information
- CAS
1082040-34-3- Standard SMILES
COC1(C#N)CCNCC1- InChIKey
NBWMIYQWSBWXCA-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.09496301
Names & identifiers
- Preferred name
- 4-Methoxypiperidine-4-carbonitrile
- IUPAC
- 4-methoxypiperidine-4-carbonitrile
- English name
- 4-Methoxy-piperidine-4-carbonitrile Hydrochloride
- Molecular formula
- C7H12N2O
- Molecular weight
- 140.18
Names & synonyms
4-methoxypiperidine-4-carbonitrile1082040-34-34-Methoxy-4-piperidinecarbonitrile4-Methoxy-piperidine-4-carbonitrile hydrochlorideDTXSID8012974544-Piperidinecarbonitrile, 4-methoxy-F84352F781362
Database identifiers
- CAS
1082040-34-3- PubChem CID
- 53399403
- DTXSID
DTXSID801297454
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 45.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Boiling point
- 247.9 · 247.9±40.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 8 · 8+-.0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C7H12N2O/c1-10-7(6-8)2-4-9-5-3-7/h9H,2-5H2,1H3
- InChIKey
- NBWMIYQWSBWXCA-UHFFFAOYSA-N
- SMILES
- N1CCC(OC)(C#N)CC1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
武汉誉祥医药科技有限公司13971275651 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
成都康悦慧蓝医药技术有限公司028-81092800 17323275954 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
长沙福臻生物科技有限公司15111215862 18229892877 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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