Basic information
- CAS
309962-63-8- Standard SMILES
CN(C(=O)OC(C)(C)C)[C@H]1CCCNC1- InChIKey
RTXNDTNDOHQMTI-VIFPVBQESA-N- Molecular formula
- C11H22N2O2
- Average molar mass
- 214.3 g/mol
- Monoisotopic mass
- 214.16812794
Names & identifiers
- Preferred name
- tert-butyl N-methyl-N-[(3S)-piperidin-3-yl]carbamate
- IUPAC
- tert-butyl N-methyl-N-[(3S)-piperidin-3-yl]carbamate
- English name
- (S)-3-N-Boc-3-(methylamino)piperidine
- Molecular formula
- C11H22N2O2
- Molecular weight
- 214.31
Names & synonyms
tert-butyl N-methyl-N-[(3S)-piperidin-3-yl]carbamatetert-butyl N-methyl-N-((3S)-piperidin-3-yl)carbamateRefChem:896413995-179-3309962-63-8(S)-tert-Butyl methyl(piperidin-3-yl)carbamate(S)-3-N-Boc-3-(methylamino)piperidineMFCD09878597Methyl-(S)-piperidin-3-yl-carbamic acid tert-butyl esterCarbamic acid, N-methyl-N-(3S)-3-piperidinyl-, 1,1-dimethylethyl estertert-butyl methyl[(3S)-piperidin-3-yl]carbamatetert-butyl (S)-methyl(piperidin-3-yl)carbamate
Show more names
S-3-N-Boc-3-(Methylamino)piperdine(S)-3-Boc-3-(Methylamino)piperidine(S)-3-(N-Boc-MethylaMino)piperidine(S)-tert-butyl piperidin-3-ylMethylcarbaMate(S)-3-N-Boc-3-(MethylaMino)piperidine, ee: 98%
(S)-tert-Butylmethyl(piperidin-3-yl)carbamateCARBAMIC ACID, METHYL(3S)-3-PIPERIDINYL-, 1,1-DIMETHYLETHYL ESTERSCHEMBL2521256DTXSID60651734RTXNDTNDOHQMTI-VIFPVBQESA-NCS-B0444(S)-N-Boc-N-methylpiperidin-3-amineAKOS007930616
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 288 ℃ · 288℃
- Density
- 1.01 · 1.01
- Flash point
- 128 ℃ · 128℃
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.74 · 9.74±0.10(Predicted)
- Appearance
- Colorless to light yellow Viscous liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37
- HS Code
- 29333990 · 29333990
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses(S)-tert-Butyl methyl(piperidin-3-yl)carbamate is a useful reactant for the synthesis substituted azoles, thiophenes and furans that act as sterol regulatory element-binding proteins (SREBPs) inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers57 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Related reactions
3 records
Compound notes
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