N,N-디메틸피페리딘-4-아민

N,N-Dimethylpiperidin-4-amine

HCID 417391CAS 50533-97-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN(C)C1CCNCC1
InChIKey: YFJAIURZMRJPDB-UHFFFAOYSA-N
분자식: C7H16N2
평균 분자량: 128.22 g/mol
단동위원소 질량: 128.13134851

개요

N,N-Dimethyl-N-(4-piperidinyl)amine is an aminopiperidine.

이름 및 식별자

우선 이름: N,N-Dimethylpiperidin-4-amine
IUPAC: N,N-dimethylpiperidin-4-amine
현지명: N,N-디메틸피페리딘-4-아민
영어명: N,N-Dimethylpiperidin-4-amine
분자식: C7H16N2
분자량: 128.22

이름 및 동의어

N,N-Dimethylpiperidin-4-amine50533-97-64-(dimethylamino)piperidineEINECS 256-617-2DTXSID50198542RefChem:822631DTXCID10121033256-617-24-Dimethylaminopiperidine4-Piperidinamine, N,N-dimethyl-4-dimethylamino piperidine4-dimethylamino-piperidine

이름 더 보기

N,N-디메틸피페리딘-4-아민EOS-60858AKOS BB-9178CHEMBRDG-BB 4018153N,N-Dimethylpiperidin-4-aminN,N''-DIMETHYLAMINOPIPERIDINE4-DIMETHYLAMINO-PIPERIDINE 98%

MFCD00023144N,N-dimethyl-4-piperidinamine4-(n,n-dimethylamino)piperidineDimethyl-piperidin-4-yl-amineN,N-dimethyl-N-(4-piperidinyl)amineN,N-dimethylpiperidine-4-amineDimethylpiperidin-4-ylamine1-dimethyl-4-piperidinamine

데이터베이스 식별자

CAS: 50533-97-6
PubChem CID: 417391
DTXSID: DTXSID50198542
ChEMBL: CHEMBL176900
ChEBI: CHEBI:231274
UNII: WS2J4P7D5R
EC Number: 256-617-2
Nikkaji: J259.959G

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 15.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 75

물리화학적 성질

끓는 점: 187 °C · 187°C
밀도: 1.09 g/ml · 1.09g/ml
인화점: 187 °C · 187°C
굴절률: 1.476 · 1.4760
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 10.1 · 10.10±0.10(Predicted)
색상: Clear, colourless
BRN: 1190 · 1190
InChI: InChI=1S/C7H16N2/c1-9(2)7-3-5-8-6-4-7/h7-8H,3-6H2,1-2H3
InChIKey: YFJAIURZMRJPDB-UHFFFAOYSA-N
SMILES: N1CCC(N(C)C)CC1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (62.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (62.5%)

안전 데이터

wgk: WGK 3
ridadr: 2734
HS 번호: 2933399990
risk_code: 10-34-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도4-(Dimethylamino)piperidine is having molecular features associated with polyamine modulation of N-methyl-D-aspartate receptors. It is utilized as a mechanism for reducing the effects of alcohol dependence.