N-(2-아미노에틸)피페리딘

N-(2-Aminoethyl)piperidine

HCID 33944CAS 27578-60-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCCN1CCCCC1
InChIKey: CJNRGSHEMCMUOE-UHFFFAOYSA-N
분자식: C7H16N2
평균 분자량: 128.22 g/mol
단동위원소 질량: 128.13134851

이름 및 식별자

우선 이름: N-(2-Aminoethyl)piperidine
IUPAC: 2-piperidin-1-ylethanamine
현지명: N-(2-아미노에틸)피페리딘
영어명: N-(2-Aminoethyl)piperidine
분자식: C7H16N2
분자량: 128.22

이름 및 동의어

27578-60-5N-(2-AMINOETHYL)PIPERIDINE1-PiperidineethanamineEINECS 248-540-8AI3-11524DTXSID30181977NSC 54993RefChem:824985DTXCID70104468248-540-81-(2-Aminoethyl)piperidine2-(piperidin-1-yl)ethan-1-amine

이름 더 보기

N-(2-아미노에틸)피페리딘RARECHEM AL BW 0414LABOTEST-BB LT021006172-PiperidinoethanamineAMINO ETHYL PIPERIDINEN-AMINOETHYL PIPERIDINE1-PIPERIDINE ETHYLAMINE1-Piperidine ethanamine

2-piperidin-1-ylethanamine2-(piperidin-1-yl)ethanamine2-Piperidinoethylamine2-(1-Piperidinyl)ethanamineMFCD000065162-(1-Piperidinyl)ethylamine(2-Piperidin-1-ylethyl)amineN-Aminoethylpiperidine

데이터베이스 식별자

CAS: 27578-60-5
PubChem CID: 33944
DTXSID: DTXSID30181977
EC Number: 248-540-8
Nikkaji: J309C

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 67.3

물리화학적 성질

녹는점: 67 · 67-70 °C(Solv: ligroine (8032-32-4); dichloromethane (75-09-2))
끓는 점: 186 °C · 186 °C(lit.)
밀도: 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.473(lit.)
인화점: 136 °F · 136 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 1 · pK1: 6.38;pK2: 9.89 (30°C)
색상: 무색~황색으로 투명함
수용성: 물에 부분적으로 섞임.
BRN: 103469 · 103469
InChI: InChI=1S/C7H16N2/c8-4-7-9-5-2-1-3-6-9/h1-8H2
InChIKey: CJNRGSHEMCMUOE-UHFFFAOYSA-N
SMILES: N1(CCN)CCCCC1
NIST: 1 · 1-Piperidineethanamine(27578-60-5)

화학적 성질

CLEAR COLOURLESS TO YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 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 CategoriesFlam. Liq. 3 (100%)

안전 데이터

wgk: 3
ridadr: UN 2734 8/PG 2
HS 번호: 29333990
risk_code: 34
hazard_code: C,Xi
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 3
위험 참고 사항: Irritant
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야 · 2건

용도1-(2-Aminoethyl)piperidine is used in modification of vinylbenzyl chloride/divinylbenzene gel copolymer bead and in the synthesis of linkage isomers trans-bis[1-(2-aminoethyl)piperidine]dinitronickel and trans-bis[1-(2-aminoethyl)-piperidine]dinitritonickel. It is also used as a reactant for synthesis of: analogs of anticancer agents, inhibitor of botulinum neurotoxin serotype A light chain, P. falciparum malaria, and Ebola filovirus, cannabinoid CB1 receptor antagonists, small molecules that restore E-cadherin expression and reduce invasion in colorectal carcinoma cells, potent and selective 5-HT6 antagonists and N-mustards as anticancer agents. 1-(2-Aminoethyl)piperidine on [1+1] condensation reaction with 3-methoxy salicylaldehyde yields tridentate Schiff base ligand.

일반 설명1-(2-Aminoethyl)piperidine on [1+1] condensation reaction with 3-methoxy salicylaldehyde yields tridentate Schiff base ligand.