N-(피리딘-3-일메틸)에틸아민

Ethyl[(pyridin-3-yl)methyl]amine

HCID 4716480CAS 3000-75-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCNCc1cccnc1
InChIKey: SGROJTFSHJVVSF-UHFFFAOYSA-N
분자식: C8H12N2
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.10004838

이름 및 식별자

우선 이름: Ethyl[(pyridin-3-yl)methyl]amine
IUPAC: N-(pyridin-3-ylmethyl)ethanamine
현지명: N-(피리딘-3-일메틸)에틸아민
영어명: N-(Pyridin-3-ylmethyl)ethylamine
분자식: C8H12N2
분자량: 136.19

이름 및 동의어

ethyl[(pyridin-3-yl)methyl]amineethyl((pyridin-3-yl)methyl)amineRefChem:596463682-067-13000-75-7N-(pyridin-3-ylmethyl)ethanamineN-Ethyl-N-(3-pyridylmethyl)amineN-(PYRIDIN-3-YLMETHYL)ETHYLAMINEethyl-pyridin-3-ylmethyl-amineMFCD045578693-Pyridinemethanamine, N-ethyl-N-Ethyl-3-Pyridinemethylamine

이름 더 보기

N-(피리딘-3-일메틸)에틸아민nAChR-IN-2N-(Pyridin-3-ylmethyl)N-ethyl-3-PyridineMethanaMineN-(3-Pyridinylmethyl)ethanamineN-(Pyridin-3-ylmethyl)ethanamine 95+%N-(3-pyridinylmethyl)ethanamine(SALTDATA: FREE)

N-ethyl-3-pyridylmethylamineN-(3-pyridylmethyl)ethanamineethyl(3-pyridylmethyl)amineorb3023365SCHEMBL1037867SCHEMBL7214218SCHEMBL7367240SCHEMBL8404150

데이터베이스 식별자

CAS: 3000-75-7
PubChem CID: 4716480
DTXSID: DTXSID20405876
ChEMBL: CHEMBL2286832
EC Number: 682-067-1
Nikkaji: J508.050I

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 24.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 10
형식 전하: 0
복잡도: 83.3

실험 및 물리화학적 성질

LogP0.76

물리화학적 성질

끓는 점: 217.5 · 217.5±15.0 °C(Predicted)
밀도: 0.967 · 0.967±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름
산도 계수 (pKa): 8.66 · 8.66±0.10(Predicted)
색상: 맑은 노란색

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (37.5%)

안전 데이터

ridadr: UN3259
HS 번호: 2921490090
포장분류: III
위험 등급: 8

화학 및 산업

응용 분야 · 1건

용도N-(Pyridin-3-ylmethyl)ethanamine is used as a reagent in organic synthesis, in particular, that of bis-nicotine derivatives which act as inhibitors of cholinesterases and β-amyloid aggregation. It is also used in the synthesis of [11C]EMPA which acts as a potential PET tracer for orexin 2 receptors. N-(Pyridin-3-ylmethyl)ethanamine is also a nicotinic analog.