CAS 147539-41-1 tert-Butyl 4-(methylamino)piperidine-1-carboxylate (HCID 15380702)

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Basic information

CAS: 147539-41-1
Standard SMILES: CNC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey: CZYUGTLMFHDODF-UHFFFAOYSA-N
Molecular formula: C11H22N2O2
Average molar mass: 214.3 g/mol
Monoisotopic mass: 214.16812795

Names & identifiers

Preferred name: tert-Butyl 4-(methylamino)piperidine-1-carboxylate
IUPAC: tert-butyl 4-(methylamino)piperidine-1-carboxylate
English name: 1-Boc-4-Methylaminopiperidine
Molecular formula: C11H22N2O2
Molecular weight: 214.31

Names & synonyms

147539-41-1tert-butyl 4-(methylamino)piperidine-1-carboxylateDTXSID80572210RefChem:893881DTXCID30522982626-457-11-Boc-4-methylaminopiperidine1-boc-4-(methylamino)piperidine1-Boc-4-methylaminopieridineN-Boc-4-methylaminopieridineMFCD022594114-methylamino-piperidine-1-carboxylic acid tert-butyl ester

Show more names

CAS:147539-41-1BUTTPARK 90\06-114-N-METHYLAMINO-1-BOC-PIPERIDINEN-BOC-4-N-METHYLAMINO PIPERIDINE1-N-BOC-4-(METHYLAMINO)PIPERIDINE

4-(Methylamino)piperidine-1-carboxylic acid tert-butyl ester4-(methylamino)piperidine, n1-boc protected4-methylamino-1-tert-butoxycarbonylpiperidine4-methylamino-1-tert-butoxycarbonyl-piperidineEN300-388824-Methylamino-1-piperidinecarboxylic Acid tert-Butyl Estertert-butyl 4-(methylamino)piperidinecarboxylaten-boc-4-methylaminopiperidine

Database identifiers

CAS: 147539-41-1
PubChem CID: 15380702
DTXSID

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 41.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 215

Physicochemical properties

Boiling point: 289 · 289.0±33.0 °C(Predicted)
Density: 1.005 g/mL · 1.005 g/mL at 25 °C
refractive index: 20 · n20/D1.468
Flash point: 110 ℃ · >110℃
storage temp.: 2 · 2-8°C
pka: 10.19 · 10.19±0.20(Predicted)
form: clear liquid
color: Colorless to Almost colorless
InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-9(12-4)6-8-13/h9,12H,5-8H2,1-4H3
InChIKey: CZYUGTLMFHDODF-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCC(NC)CC1
CAS DataBase Reference: 147539 · 147539-41-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS09
Signal word: Danger

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H301 (86%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (98%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (84%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (86%)；Skin Irrit. 2 (98%)；Eye Irrit. 2 (98%)；STOT SE 3 (96%)；Aquatic Acute 1 (84%)

Safety data

F: 10-34
wgk: 3
ridadr: 2810
hs_code: 29339900
risk_code: 36/37/38-50-25
Signal word: Danger
Symbol(GHS): GHS06,GHS09
hazard_code: Xi,N,T
safety_code: 26-61-45-36/37/39

Chemistry & industry

Applications

Uses1-Boc-4-(methylamino)piperidine is used as an organic chemical synthesis intermediate.

Uses1-Boc-4-methylaminopiperidine is a derivatieve of 3-Methylaminopiperidine Dihydrochloride, which is a a key intermediate for the antibacterial agent balofloxacin.