4-벤질피페리딘

4-Benzylpiperidine

HCID 31738CAS 31252-42-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: c1ccc(CC2CCNCC2)cc1
InChIKey: ABGXADJDTPFFSZ-UHFFFAOYSA-N
분자식: C12H17N
평균 분자량: 175.27 g/mol
단동위원소 질량: 175.13609954

이름 및 식별자

우선 이름: 4-Benzylpiperidine
IUPAC: 4-benzylpiperidine
현지명: 4-벤질피페리딘
영어명: 4-Benzylpiperidine
분자식: C12H17N
분자량: 175.27

이름 및 동의어

4-Benzylpiperidine31252-42-3Piperidine, 4-(phenylmethyl)-4-(Phenylmethyl)piperidinePiperidine, 4-benzyl-EINECS 250-535-0NSC 30346BRN 0132339JDF1T4667SNSC-30346DTXSID30676035-20-06-00439 (Beilstein Handbook Reference)

이름 더 보기

4-벤질피페리딘AKOS BBS-000036174-benzyl-piperidin4-Benzylpiperidine99%LABOTEST-BB LTBB0007524-Benzylpiperidine,98%4-Benzylpiperidine >

RefChem:518552DTXCID6038322250-535-0InChI=1/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H4-Benzyl-piperidineMFCD00006006Phenyl(4-piperidyl)methane4-benzylpiperdine

데이터베이스 식별자

CAS: 31252-42-3
PubChem CID: 31738
DTXSID: DTXSID3067603
ChEMBL: CHEMBL144129
UNII: JDF1T4667S
EC Number: 250-535-0
Nikkaji: J29.203F

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 132

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

녹는점: 6 · 6-7 °C (lit.)
끓는 점: 279 °C · 279 °C (lit.)
밀도: 0.997 g/mL · 0.997 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.537(lit.)
인화점: 230 °F · >230 °F
저장 조건: 30 °C · Store below +30°C.
물리적 상태: 점성 액체
산도 계수 (pKa): 10.58 · 10.58±0.10(Predicted)
색상: 무색~황색으로 투명함
BRN: 132339 · 132339
InChI: InChI=1S/C12H17N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-5,12-13H,6-10H2
InChIKey: ABGXADJDTPFFSZ-UHFFFAOYSA-N
SMILES: N1CCC(CC2=CC=CC=C2)CC1
EPA: 4 · Piperidine, 4-(phenylmethyl)- (31252-42-3)

화학적 성질

clear colourless to yellow viscous liquid.

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information4-Benzylpiperidine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TM4728000
HS 번호: 29333990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPiperidine, 4-(phenylmethyl)-: ACTIVE

응용 분야 · 2건

용도4-Benzylpiperidine was studied as acid corrosion inhibitor for iron. It was also used to study potential utility of dopamine-welective releaser as a treatment for cocaine dependence. In an assay of cocaine discrimination, 4-Benzylpiperidine had the most rapid onset and shortest duration of action.

일반 설명4-Benzylpiperidine is dopamine-selective releaser. It is a potential candidate for treatments for cocaine dependence.

제조 방법

4-Benzylpiperidine can be prepared by reacting 4-cyanopyridine with toluene. Catalytic hydrogenation of the pyridine ring then completes the synthesis.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

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阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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