methyl (2S)-piperidine-2-carboxylate hydrochloride

HCID 13246232CAS 18650-39-0

기본 정보

표준 SMILES: COC(=O)[C@@H]1CCCCN1.Cl
InChIKey: APCHKWZTSCBBJX-RGMNGODLSA-N
분자식: C7H14ClNO2
평균 분자량: 179.64 g/mol
단동위원소 질량: 179.07130637

이름 및 식별자

우선 이름: methyl (2S)-piperidine-2-carboxylate hydrochloride
IUPAC: methyl (2S)-piperidine-2-carboxylate;hydrochloride
영어명: H-HomoPro-OMe HCl
분자식: C7H13NO2.ClH
분자량: 179.64

이름 및 동의어

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

이름 더 보기

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)-

데이터베이스 식별자

CAS: 18650-39-0
PubChem CID: 13246232
DTXSID: DTXSID70531755
EC Number: 845-078-4

물성

구조 계산 물성

극성 표면적: 38.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 125

물리화학적 성질

녹는점: 176 · 176-177℃
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 가루
색상: 흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

HS 번호: 2933399990

화학 및 산업

응용 분야 · 1건

용도Methyl (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.