[1-METHYL-1-(PYRIDIN-2-YL)ETHYL]아민

2-(2-Pyridyl)-2-propylamine

HCID 22736922

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 52568-28-2
표준 SMILES: CC(C)(N)c1ccccn1
InChIKey: DQSQBZXDMHDHEO-UHFFFAOYSA-N
분자식: C8H12N2
평균 분자량: 136.19 g/mol
단동위원소 질량: 136.10004838

이름 및 식별자

우선 이름: 2-(2-Pyridyl)-2-propylamine
IUPAC: 2-pyridin-2-ylpropan-2-amine
현지명: [1-METHYL-1-(PYRIDIN-2-YL)ETHYL]아민
영어명: [1-Methyl-1-(pyridin-2-yl)ethyl]amine
분자식: C8H12N2
분자량: 136.19

이름 및 동의어

2-(2-PYRIDYL)-2-PROPYLAMINERefChem:454423809-382-052568-28-22-(PYRIDIN-2-YL)PROPAN-2-AMINE[1-METHYL-1-(PYRIDIN-2-YL)ETHYL]AMINE2-pyridin-2-ylpropan-2-amine1-methyl-1-pyridin-2-yl-ethylamineMFCD08729302C8H12N2(1-methyl-1-(pyridin-2-yl)ethyl)amine2-(2-pyridinyl)-2-propanamine

이름 더 보기

[1-METHYL-1-(PYRIDIN-2-YL)ETHYL]아민104193Huang hydrosilylation catalystα,α-Dimethyl-2-pyridinemethanamine2-Pyridinemethanamine, α,α-dimethyl-2-(Pyridin-2-yl)isopropyl amine 95% (GC)alpha,alpha-DiMethyl-2-pyridineMethanaMine

2-(Pyridin-2-yl)isopropyl amine9271AHSCHEMBL1114414SCHEMBL1813470SCHEMBL10844864SCHEMBL10845956SCHEMBL294358832-amino-2-(2-pyridyl)-propane

데이터베이스 식별자

CAS: 52568-28-2
PubChem CID: 22736922
DTXSID: DTXSID90627962
EC Number: 809-382-0
Nikkaji: J278.687G

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 38.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 110

물리화학적 성질

끓는 점: 212.7 · 212.7±15.0 °C(Predicted)
밀도: 0.98 g/mL · 0.9800 g/mL at 25℃
굴절률: 1.516 · n/D1.516
인화점: 79 ℃ · 79℃
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
산도 계수 (pKa): 9.4 · 9.40±0.50(Predicted)
물리적 상태: 액체
InChI: InChI=1S/C8H12N2/c1-8(2,9)7-5-3-4-6-10-7/h3-6H,9H2,1-2H3
InChIKey: DQSQBZXDMHDHEO-UHFFFAOYSA-N
SMILES: NC(C)(C1=NC=CC=C1)C

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 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 CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933399990
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도The Shi Auxiliary is a powerful directing group for the hydroxylation of arenes through copper-mediated C-H activation. This useful auxiliary can be removed through acid-mediated hydrolysis and has shown to be done on gram-scale.

일반 설명2-(Pyridin-2-yl)isopropyl amine (PIP-amine) is a tertiary amine. A bidentate directing group, useful for the functionalization of C-H bond, has been developed from PIP-amine.