기본 정보
- 표준 SMILES
CN(C)CCN1CCN(C)CC1- InChIKey
XFLSMWXCZBIXLV-UHFFFAOYSA-N- 분자식
- C9H21N3
- 평균 분자량
- 171.28 g/mol
- 단동위원소 질량
- 171.17354767
이름 및 식별자
- 우선 이름
- 1-(2-(N,N-Dimethylamino)ethyl)-4-methylpiperazine
- IUPAC
- N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine
- 현지명
- 1-(2-디메틸아미노아민)-4-메틸피라진
- 영어명
- 1-(2-Dimethylaminoethyl)-4-methylpiperazine
- 분자식
- C9H21N3
- 분자량
- 171.28
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
104-19-8- PubChem CID
- 66908
- DTXSID
DTXSID5059292- UNII
- 384CK0D21R
- EC Number
- 203-183-7
- Nikkaji
- J22.150C
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 9.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 117
실험 및 물리화학적 성질
물리화학적 성질
- 끓는 점
- 96 °C · 96 °C / 12mmHg
- 밀도
- 0 · 0,89 g/cm3
- 증기압
- 28.6 Pa · 28.6Pa at 25℃
- 굴절률
- 1.463 · 1.4630-1.4660
- 인화점
- 100 °C · 100°C(lit.)
- 수용성
- Completely miscible in water
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 9.5 · 9.50±0.28(Predicted)
- 색상
- Colorless to Light orange to Yellow
- InChI
- InChI=1S/C9H21N3/c1-10(2)4-7-12-8-5-11(3)6-9-12/h4-9H2,1-3H3
- InChIKey
- XFLSMWXCZBIXLV-UHFFFAOYSA-N
- SMILES
- N1(CCN(C)C)CCN(C)CC1
- LogP
- -0.591 at · -0.591 at 21℃
- EPA
- 1 · 1-Piperazineethanamine, N,N,4-trimethyl- (104-19-8)
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (34.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 433 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: 1-Piperazineethanamine, N,N,4-trimethyl-
1-Piperazineethanamine, N,N,4-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Piperazineethanamine, N,N,4-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 13-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/27533
1-Piperazineethanamine, N,N,4-trimethyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- tsca
- TSCA listed
- rtecs
- TL6125000
- ridadr
- 2922
- HS 번호
- 2933599590
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-34671
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Piperazineethanamine, N,N,4-trimethyl-: ACTIVE
상·하류 제품 정보
하류 제품
공급사45 곳
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