1-Methylpiperidine-2-carboxylic acid

HCID 415939

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Basic information

CAS: 7730-87-2
Standard SMILES: CN1CCCCC1C(=O)O
InChIKey: BPSLZWSRHTULGU-UHFFFAOYSA-N
Molecular formula: C7H13NO2
Average molar mass: 143.18 g/mol
Monoisotopic mass: 143.09462866

Overview

Methylpipecolic acid is an alpha-amino acid.

Names & identifiers

Preferred name: 1-Methylpiperidine-2-carboxylic acid
IUPAC: 1-methylpiperidine-2-carboxylic acid
English name: 1-Methylpiperidine-2-carboxylic acid hydrochloride
Molecular formula: C7H13NO2
Molecular weight: 143.18

Names & synonyms

1-methylpiperidine-2-carboxylic acid7730-87-2DTXSID50328968RefChem:434657DTXCID502800721-methylpiperidin-1-ium-2-carboxylate819-095-21-Methyl-piperidine-2-carboxylic acid2-Piperidinecarboxylic acid, 1-methyl-MFCD08060082methylpipecolic acidN-Methyl DL-Pipecolic Acid

Show more names

ZERO/009535CBI-BB ZERO/009535Mepivacaine Impurity 5Mepivacaine Impurity 41-Methylpipecolinic AcidN-Methyl-2-piperidinecarboxylic acid

1-Methyl-2-piperidinecarboxylic AcidN-methyl pipecolinic acidSTK693863SB13699SB13700SY123003CS-0038450n-methylpipecolic acid

Database identifiers

CAS: 7730-87-2
PubChem CID: 415939
DTXSID: DTXSID50328968
ChEMBL: CHEMBL265276
ChEBI: CHEBI:191185
EC Number: 819-095-2
Nikkaji: J3.522.988D

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Physicochemical properties

Melting point: 208 · 208-210℃ (ethanol ethyl ether )
Boiling point: 246.1 · 246.1±33.0 °C(Predicted)
Density: 1.103 · 1.103±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Methanol (Slightly), Water (Slightly)
form: Solid
pka: 2.48 · 2.48±0.20(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 2 reports by companies from 2 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

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P