4-메틸-1-피페라진카르보닐클로라이드염산염
4-Methylpiperazine-1-carbonyl chloride monohydrochloride
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기본 정보
- CAS
55112-42-0- 표준 SMILES
CN1CCN(C(=O)Cl)CC1.Cl- InChIKey
WICNYNXYKZNNSN-UHFFFAOYSA-N- 분자식
- C6H12Cl2N2O
- 평균 분자량
- 199.08 g/mol
- 단동위원소 질량
- 198.03266836
이름 및 식별자
- 우선 이름
- 4-Methylpiperazine-1-carbonyl chloride monohydrochloride
- IUPAC
- 4-methylpiperazine-1-carbonyl chloride;hydrochloride
- 현지명
- 4-메틸-1-피페라진카르보닐클로라이드염산염
- 영어명
- 4-Methyl-1-piperazinecarbonyl chloride hydrochloride
- 분자식
- C6H12Cl2N2O
- 분자량
- 199.08
이름 및 동의어
55112-42-04-Methylpiperazine-1-carbonyl chloride monohydrochlorideEINECS 259-482-8DTXSID802036331-Piperazinecarbonyl chloride, 4-methyl-, hydrochloride (1:1)RefChem:525681DTXCID10126124259-482-84-Methyl-1-piperazinecarbonyl chloride hydrochloride4-methylpiperazine-1-carbonyl chloride hydrochlorideMFCD010748754-Methyl-1-piperazinecarbonyl chloride HCl
이름 더 보기
4-메틸-1-피페라진카르보닐클로라이드염산염MPCC4-Methyl-1-piperazinecarbonylN-METHYLPIPERAZINE-4-CARBAMOYLCHLORIDEHCL4-Methyl-1-piperazinecarbonylchloridehydroN'-Methyl piperazine carbamoyl chloride.HCl4-Methyl-1-piperazinecarbonyl chloride, HCl1-Chloroformyl-4-methylpiperazine hydrochloride4-Methyl-1-piperazincarbonyl chloride hydrochlorideN-Methyl piperazine carbamoyl chloride HCl (NMPCCl)
4-methylpiperazine-1-carbonyl chloride;hydrochloride1-Piperazinecarbonyl chloride, 4-methyl-, monohydrochloride1-chlorocarbonyl-4-methylpiperazine hydrochloride7T2R5ALS8T4-Methyl-1-piperazinecarbonylChlorideHydrochlorideSCHEMBL321914GEO-01914AKOS015897706
데이터베이스 식별자
- CAS
55112-42-0- PubChem CID
- 3016934
- DTXSID
DTXSID80203633- UNII
- 7T2R5ALS8T
- EC Number
- 259-482-8
물성
구조 계산 물성보충 중
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 132
물리화학적 성질
- 녹는점
- 225 · 225-228 °C(lit.)
- 끓는 점
- 94 · 94-96 °C(Press: 10 Torr)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- InChI
- InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H
- InChIKey
- WICNYNXYKZNNSN-UHFFFAOYSA-N
- SMILES
- N1(CCN(C)CC1)C(Cl)=O.Cl
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (62.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 167 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 16-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19534
Hazard Classes and CategoriesAcute Tox. 3 (62.3%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- HS 번호
- 2933599590
- risk_code
- 34
- hazard_code
- C,Xi
- safety_code
- 26-27-36/37/39-45
- 위험 등급
- 8
- 위험 참고 사항
- Irritant
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
응용 분야
용도4-Methyl-1-piperazinecarbonyl chloride hydrochloride may be used in the synthesis of tert-butyl 2-(N-ethyl-4-methylpiperzaine-1-carboxamido)ethylcarbamate and 4b,8,8-trimethyl-9,10-dioxo-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-yl 4-methyl-piperazine-1-carboxylate.
관련 반응
45건
화합물 노트
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