Basic information
- CAS
17305-22-5- Standard SMILES
C[C@H]1CCCNC1- InChIKey
JEGMWWXJUXDNJN-LURJTMIESA-N- Molecular formula
- C6H13N
- Average molar mass
- 99.17 g/mol
Names & identifiers
- Preferred name
- (S)-3-Methylpiperidine
- IUPAC
- (3S)-3-methylpiperidine
- English name
- (S)-(+)-3-Methylpiperidine
- Molecular formula
- C6H13N
- Molecular weight
- 99.17
Names & synonyms
(S)-3-Methylpiperidine17305-22-5(3S)-3-methylpiperidine(s)-(+)-3-methylpiperidinePiperidine, 3-methyl-, (3S)-MFCD08448244(S)-3-Methyl-piperidineCTK0E4388SCHEMBL737711SCHEMBL1201578SCHEMBL9208855SCHEMBL22076256
Show more names
(S)-(+)-3-Methyl-piperidine, 98%ee, 98%(S)-(+)-3-Methyl-piperidine, 98%ee, 98%
AKOS016844305AC-15332SY273114DB-362435NS00022559EN300-99950F324146F8887-9000
Database identifiers
- CAS
17305-22-5- Nikkaji
- J825.516D
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52.1
Physicochemical properties
- Boiling point
- 126 ℃ · 126℃
- Density
- 0.809 · 0.809±0.06 g/cm3(Predicted)
- Flash point
- 17 ℃ · 17℃
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 10.49 · 10.49±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C6H13N/c1-6-3-2-4-7-5-6/h6-7H,2-5H2,1H3/t6-/m0/s1
- InChIKey
- JEGMWWXJUXDNJN-LURJTMIESA-N
- SMILES
- N1CCC[C@H](C)C1
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers42 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
石家庄手性化学有限公司031185291771 13832391721 · [email protected]
上海默达医药科技有限公司+86 (0)21 51320687 51371369 1744605818
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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