2-(아미노메틸)피페리딘

Piperidine-2-methylamine

HCID 90865CAS 22990-77-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NCC1CCCCN1
InChIKey: RHPBLLCTOLJFPH-UHFFFAOYSA-N
분자식: C6H14N2
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.11569845

개요

2-Piperidinemethanamine is a member of piperidines.

이름 및 식별자

우선 이름: Piperidine-2-methylamine
IUPAC: piperidin-2-ylmethanamine
현지명: 2-(아미노메틸)피페리딘
영어명: 2-PIPERIDYLMETHYLAMINE
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

2-PiperidinemethanaminePiperidine-2-methylamineEINECS 245-371-1EC 245-371-1RefChem:863579245-371-122990-77-82-PIPERIDYLMETHYLAMINE2-(Aminomethyl)piperidinepiperidin-2-ylmethanamine2-Aminomethylpiperidine2-(AMINOMETHYL)-1-PIPERIDINE

이름 더 보기

2-(아미노메틸)피페리딘2AMPPR2-(Aminomethyl)2-PIPERIDYLMETHYLAMIPiperidine-2-methanamine2-AMINOMETHYL PIPERIDINEFlecainide EP Impurity B

1-(piperidin-2-yl)methanamineMFCD00129011Piperidine, 2-(aminomethyl)-2-Aminomethyl-1-piperidine(RS)-(Piperidin-2-yl)methanamine(piperidin-2-yl)methanamineFlecainide Acetate Imp. B (EP); (RS)-(Piperidin-2-yl)methanamine; Flecainide Acetate Impurity B; Flecainide Impurity B2-piperidylmethanamine

데이터베이스 식별자

CAS: 22990-77-8
PubChem CID: 90865
DTXSID: DTXSID80945687
ChEBI: CHEBI:229435
UNII: 9Y4RLA45BH
EC Number: 245-371-1
Nikkaji: J43.049H

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 63.5

물리화학적 성질

끓는 점: 63 · 63-66°C/12mm
밀도: 0.9406 g/mL · 0.9406 g/mL at 25 °C
굴절률: 1.485 · 1.4850
인화점: 63 · 63-66°C/12mm
저장 조건: -20 °C · -20°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.32 · 10.32±0.29(Predicted)
색상: 무색의
BRN: 102994 · 102994
InChI: InChI=1S/C6H14N2/c7-5-6-3-1-2-4-8-6/h6,8H,1-5,7H2
InChIKey: RHPBLLCTOLJFPH-UHFFFAOYSA-N
SMILES: N1CCCCC1CN

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (65.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 168 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 06-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20343

Hazard Classes and CategoriesAcute Tox. 4 (65.5%)

안전 데이터

wgk: 2
ridadr: 2735
HS 번호: 29333990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: KE-01472
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도2-Piperidinemethanamine is used in the synthesis of compounds exhibiting anti-osteoclast and anti-osteoblast activity. It also is used in the synthesis of potent antibacterial.