CAS 205194-12-3 ethyl (3R)-1-methylpiperidine-3-carboxylate (HCID 736036)

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Basic information

CAS: 205194-12-3
Standard SMILES: CCOC(=O)[C@@H]1CCCN(C)C1
InChIKey: VFJJNMLPRDRTCO-MRVPVSSYSA-N
Molecular formula: C9H17NO2
Average molar mass: 171.24 g/mol
Monoisotopic mass: 171.12592878

Names & identifiers

Preferred name: ethyl (3R)-1-methylpiperidine-3-carboxylate
IUPAC: ethyl (3R)-1-methylpiperidine-3-carboxylate
English name: (R)-Ethyl 1-methylpiperidine-3-carboxylate
Molecular formula: C9H17NO2
Molecular weight: 171.24

Names & synonyms

205194-12-3ethyl (3R)-1-methylpiperidine-3-carboxylateDTXSID20352912RefChem:593089DTXCID90303976Ethyl (3R)-1-methyl-3-piperidinecarboxylate999-224-83-Piperidinecarboxylic acid, 1-methyl-, ethyl ester, (3R)-(R)-ETHYL 1-METHYLPIPERIDINE-3-CARBOXYLATE(R)-Ethyl1-methylpiperidine-3-carboxylateSCHEMBL12885924VFJJNMLPRDRTCO-MRVPVSSYSA-N

Show more names

(R)-ethyl 1-methylpiperdine-3-carboxylate

AKOS017515201EN300-395974

Database identifiers

CAS: 205194-12-3
PubChem CID: 736036
DTXSID: DTXSID20352912
EC Number: 999-224-8
Nikkaji: J1.458.855H

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 211.1 · 211.1±33.0 °C(Predicted)
Density: 0.997 · 0.997±0.06 g/cm3(Predicted)
pka: 8.56 · 8.56±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.