CAS 41994-45-0 Methyl pipecolinate (HCID 3463753)

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Basic information

CAS: 41994-45-0
Standard SMILES: COC(=O)C1CCCCN1
InChIKey: CXQTTWVBUDFUNO-UHFFFAOYSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Names & identifiers

Preferred name: Methyl pipecolinate
IUPAC: methyl piperidine-2-carboxylate
English name: Methyl 2-piperidinecarboxylate
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

methyl pipecolinateRefChem:81804741994-45-0Methyl 2-piperidinecarboxylateMethyl Piperidine-2-carboxylateMFCD073643472-Carbomethoxy piperidine2-Piperidinecarboxylic acid, methyl ester, hydrochloride2-Piperidinecarboxylic acid methyl ester(R)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTERMethyl2-piperidinecarboxylatePiperidine-2-carboxylic acid methyl ester

Show more names

Methylpipecolinate2-PiperidinecarboxylicArgatroban Impurity 1682-piperidinecarboxylate2 - piperidine Methyl forMate2-Piperidinecarboxylic acid methylPiperidine-2-carboxylate, methyl ester

methyl pipecolateMethyl a-pipecolinatepipecolic acid methyl esterSCHEMBL40033methylpiperidine-2-carboxylateCHEMBL75565DL-Pipecolic acid methyl esterSCHEMBL1219868

Database identifiers

CAS: 41994-45-0
PubChem CID: 3463753
DTXSID: DTXSID40392714
ChEMBL: CHEMBL75565
EC Number: 803-842-4
Nikkaji: J345.002C

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 193.8 · 193.8±33.0 °C(Predicted)
Density: 1.021 · 1.021±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
pka: 8.27 · 8.27±0.10(Predicted)
form: liquid
color: Pale yellow
CAS DataBase Reference: 41994 · 41994-45-0(CAS DataBase Reference)
Symbol(GHS): 9 · GHS09
Signal word: Warning
Hazard statements: 410 · H410
Precautionary statements: 501 · P501-P273-P391
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
HS Code: 29333990 · 29333990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.