4-메틸-1-피페라진에탄아민
4-Methylpiperazine-1-ethylamine
기본 정보
- CAS
934-98-5- 표준 SMILES
CN1CCN(CCN)CC1- InChIKey
GOWUDHPKGOIDIX-UHFFFAOYSA-N- 분자식
- C7H17N3
- 평균 분자량
- 143.23 g/mol
- 단동위원소 질량
- 143.14224754
개요
2-(4-methyl-1-piperazinyl)ethanamine is a N-alkylpiperazine that is piperazine substituted by a methyl and a 2-aminoethyl group at the N atoms respectively. It has a role as a human metabolite.
이름 및 식별자
- 우선 이름
- 4-Methylpiperazine-1-ethylamine
- IUPAC
- 2-(4-methylpiperazin-1-yl)ethanamine
- 현지명
- 4-메틸-1-피페라진에탄아민
- 영어명
- 4-Methyl-1-piperazineethanamine
- 분자식
- C7H17N3
- 분자량
- 143.23
이름 및 동의어
2-(4-methylpiperazin-1-yl)ethanamine4-methyl-1-piperazineethanamine1-Piperazineethanamine, 4-methyl-2-(4-methylpiperazin-1-yl)ethan-1-amine2-(4-Methyl-1-piperazinyl)ethanamine4-Methylpiperazine-1-ethylamine2-(4-methylpiperazin-1-yl)ethylamineZ79BOY08I2EINECS 213-296-3UNII-Z79BOY08I2CHEBI:84290DTXSID10239420
이름 더 보기
4-메틸-1-피페라진에탄아민AKOS BB-6128CHEMBRDG-BB 40063834-Methylpiperazin-1-ethylamin1-(2-AMINOETHYL)METHYLPIPERAZINE1-(2-Aminoethyl)-4-methyl-piperaz1-Methyl-4-(2-aminoethyl)piperazine
2-(4-METHYLPIPERAZINO)ETHANAMINEPiperazine 1-[2-aminoethyl]-4-methyl-Piperazine, 1-(2-aminoethyl)-4-methyl-4-(2-AMINOETHYL)-1-METHYLPIPERAZINEPiperazine 1-(2-aminoethyl)-4-methyl-RefChem:99932DTXCID30161911213-296-3
데이터베이스 식별자
- CAS
934-98-5- PubChem CID
- 70284
- DTXSID
DTXSID10239420- ChEBI
CHEBI:84290- UNII
- Z79BOY08I2
- EC Number
- 213-296-3
- Nikkaji
- J298.525J
물성
구조 계산 물성
- XLogP
- -0.9
- 극성 표면적
- 32.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 86.9
물리화학적 성질
- 끓는 점
- 103 °C/11.25mm · 103°C/11.25mm
- 밀도
- 0.956 · 0.956±0.06 g/cm3(Predicted)
- 굴절률
- 1.478 · 1.4780
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.11 · 10.11±0.10(Predicted)
- 색상
- 무색~연황색
- InChI
- InChI=1S/C7H17N3/c1-9-4-6-10(3-2-8)7-5-9/h2-8H2,1H3
- InChIKey
- GOWUDHPKGOIDIX-UHFFFAOYSA-N
- SMILES
- N1(CCN)CCN(C)CC1
화학적 성질
Colorless liquid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 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 (11.1%)
안전 데이터
- wgk
- WGK 3
- ridadr
- 2735
- HS 번호
- 29339900
- risk_code
- 36/37/38-22
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- 포장분류
- Ⅲ
- 위험 등급
- 8
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도1-(2-Aminoethyl)-4-methylpiperazine is used as pharmaceutical intermediate.
상·하류 제품 정보
상류 원료
추가 설명
정의ChEBI: A N-alkylpiperazine that is piperazine substituted by a methyl and a 2-aminoethyl group at the N atoms respectively.
관련 반응
43건
화합물 노트
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