기본 정보
- 표준 SMILES
CN1CCCC1CCN- InChIKey
PNHGJPJOMCXSKN-UHFFFAOYSA-N- 분자식
- C7H16N2
- 평균 분자량
- 128.22 g/mol
- 단동위원소 질량
- 128.13134851
개요
1-Methylpyrrolidine-2-ethylamine is a pyrrolidine substituted by a methyl group at position 1 and bearing an ethylamine at position 2. It is functionally related to an ethylamine.
이름 및 식별자
- 우선 이름
- 2-(2-Aminoethyl)-1-methylpyrrolidine
- IUPAC
- 2-(1-methylpyrrolidin-2-yl)ethanamine
- 영어명
- 2-(2-Aminoethyl)-1-methylpyrrolidine
- 분자식
- C7H16N2
- 분자량
- 128.22
이름 및 동의어
2-(2-Aminoethyl)-1-methylpyrrolidine51387-90-71-Methylpyrrolidine-2-ethylamineDTXSID4012913972-[2-Aminoethyl]-1-methylpyrrolidineRefChem:434680DTXCID40892840257-169-02-(1-methylpyrrolidin-2-yl)ethanamine2-Pyrrolidineethanamine, 1-methyl-MFCD000031752-(1-Methylpyrrolidin-2-Yl)Ethan-1-Amine
이름 더 보기
2-(2-Aminoethyl)-1-methyl2-(2-Aminoethyl)-1-methylpyN-Methyl-2-(2-aMinoethyl)pyr2-AMinoethyl-1-MethylpyrrolidineN-Methyl-2-Pyrrolidineethanamine1-methyl-2-(aminoethyl)pyrrolidine
2-(1-methylpyrrolidin-2-yl)ethylamine2-(2'-Aminoethyl)-1-N-methylpyrrolidine2-(1-Methyl-2-pyrrolidinyl)ethylamine1-Methylpyrrolidine-2-ethanamine(R)-1-METHYL-2-PYRROLIDINEETHANAMINE1-METHYL-2-(2-AMINOETHYL)PYRROLIDINE1-Methyl-2-pyrrolidineethanamineN-Methyl-2-(2-aminoethyl)pyrrolidine
데이터베이스 식별자
- CAS
51387-90-7- PubChem CID
- 98388
- DTXSID
DTXSID401291397- ChEBI
CHEBI:234484- EC Number
- 257-169-0
- Nikkaji
- J236.383F
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 29.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 83
물리화학적 성질
- 끓는 점
- 152.7 · 152.7±8.0 °C(Predicted)
- 밀도
- 0.885 g/mL · 0.885 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.4684(lit.)
- 인화점
- 149 °F · 149 °F
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 10.34 · 10.34±0.40(Predicted)
- 물리적 상태
- 가루
- 색상
- 라이트 베이지부터 라이트 브라운까지
- InChI
- InChI=1S/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3
- InChIKey
- PNHGJPJOMCXSKN-UHFFFAOYSA-N
- SMILES
- N1(C)CCCC1CCN
화학적 성질
Clear colorless to pale yellow liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 (97.7%)
안전 데이터
- wgk
- 2
- ridadr
- 2735
- HS 번호
- 29339900
- risk_code
- 22-37/38-41
- hazard_code
- Xn
- safety_code
- 26-39
- 포장분류
- III
- 위험 등급
- 8
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
응용 분야
용도2-(2-Aminoethyl)-1-methylpyrrolidine is used as an electrochemiluminescence probe within microfluidic chip for ECL detection. 2-(2-Aminoethyl)-1-methylpyrrolidine is also used in chemical microarrays to identify ligands that bind pathogenic cells.
일반 설명2-(2-Aminoethyl)-1-methylpyrrolidine labelling acts as probe within microfluidic chip for electrochemiluminescence detection. It acts as electrogenerated chemiluminescence derivatization reagent for carboxylic acid in HPLC.
상·하류 제품 정보
상류 원료
관련 반응
91건
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