Basic information
- CAS
1057682-03-7- Standard SMILES
C[C@H]1CN(c2ccc(C#N)cn2)CCN1- InChIKey
USAKGOYBWIQOPV-VIFPVBQESA-N- Molecular formula
- C11H14N4
- Average molar mass
- 202.26 g/mol
- Monoisotopic mass
- 202.12184645
Names & identifiers
- Preferred name
- (S)-6-(3-Methylpiperazin-1-yl)nicotinonitrile
- IUPAC
- 6-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
- English name
- (S)-6-(3-Methylpiperazin-1-yl)nicotinonitrile
- Molecular formula
- C11H14N4
- Molecular weight
- 202.26
Names & synonyms
(S)-6-(3-Methylpiperazin-1-yl)nicotinonitrile1057682-03-76-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrileMFCD174888033-Pyridinecarbonitrile, 6-[(3S)-3-methyl-1-piperazinyl]-SCHEMBL3599989DTXSID10657807USAKGOYBWIQOPV-VIFPVBQESA-NAKOS016843402DS-18450DB-336363CS-0186188
Show more names
Ethanone,1-[5-bromo-3-(trifluoromethyl)-7-pyridinyl]-6-[(3S)-3-Methyl-1-piperazinyl]-3-pyridinecarbonitrile3-Pyridinecarbonitrile,6-[(3S)-3-methyl-1-piperazinyl]-(S)-6-(3-methylpiperazin-1-yl)nicotinonitrile1057682-03-7
C712296-((S)-3-Methyl-piperazin-1-yl)-nicotinonitrileF232503
Database identifiers
- CAS
1057682-03-7- PubChem CID
- 44186249
- DTXSID
DTXSID10657807
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Boiling point
- 400.6 · 400.6±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 8.54 · 8.54±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers12 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
ChemeGen 中国18818260767 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
武汉德拜技术有限公司18086626237 18086626237 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
山西诺诚生物科技有限公司17835231871 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
1 records
Compound notes
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