CAS 18650-39-0 methyl (2S)-piperidine-2-carboxylate hydrochloride (HCID 13246232)

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Basic information

CAS: 18650-39-0
Standard SMILES: COC(=O)[C@@H]1CCCCN1.Cl
InChIKey: APCHKWZTSCBBJX-RGMNGODLSA-N
Molecular formula: C7H14ClNO2
Average molar mass: 179.64 g/mol
Monoisotopic mass: 179.07130637

Names & identifiers

Preferred name: methyl (2S)-piperidine-2-carboxylate hydrochloride
IUPAC: methyl (2S)-piperidine-2-carboxylate;hydrochloride
English name: H-HomoPro-OMe HCl
Molecular formula: C7H13NO2.ClH
Molecular weight: 179.64

Names & synonyms

methyl (2S)-piperidine-2-carboxylate hydrochlorideRefChem:812193845-078-418650-39-0Methyl (S)-piperidine-2-carboxylate hydrochloride(S)-Methyl piperidine-2-carboxylate hydrochlorideMFCD00672366H-homoPro-OMe.HClmethyl (2S)-piperidine-2-carboxylate;hydrochloride(S)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER HCL(S)-PIPERIDINE-2-CARBOXYLIC ACID METHYL ESTER HYDROCHLORIDEDTXSID70531755

Show more names

L-PIP-OMEH-HOPRO-OME HCLH-PIC(2)-OME HCLL-HOMOPRO-OME-HCLH-HomoPro-OMe HClHOMOPROLINE-OME HCLL-PIPECOLIC ACID-OME HCLHomoproline-OMe HydrochlorideL-HOMO-PROLINE METHYL ESTER HCL

AKOS015949473H-D-Homopro-OMe . HClMethyl (2S)-piperidine-2-carboxylate--hydrogen chloride (1/1)H-Homopro-OMe . HClA880646SCHEMBL132158Methyl (2S)-2-piperidinecarboxylate hydrochloride (1:1)2-Piperidinecarboxylic acid, methyl ester, hydrochloride, (2S)-

Properties

Computed structural properties

Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 125

Physicochemical properties

Melting point: 176 · 176-177℃
storage temp.: 2 · Inert atmosphere,2-8°C
form: powder
color: White to off-white
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 501 · P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312
HS Code: 2933399990 · 2933399990

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 3 reports by companies from 3 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: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302+H312+H332-H315-H319
Precautionary statements: P501-P261-P270-P271-P264-P280-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312

Chemistry & industry

Applications · 1 item

UsesMethyl (2S)-Piperidine-2-carboxylate Hydrochloride can be useful in the preparation of Thyrotropin-releasing hormone (TRH) analogs, preparation of (arylsulfonyl)(amidino)phenylalanine piperidinamides as matriptase inhibitors, stereoselective synthesis of protected peptides containing anti β-hydroxy tyrosine, preparation of analogs of endogenous neuropeptide cycloprolylglycine, and preparation of promysalin analogs. It can also be useful in the preparation of molecular switches within ADX-47273 mGlu5 PAM scaffold that modulate modes of pharmacology to afford mGlu5 modulators.