디메틸피페리딘(3,5-)
3,5-Dimethylpiperidine
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기본 정보
- CAS
35794-11-7- 표준 SMILES
CC1CNCC(C)C1- InChIKey
IDWRJRPUIXRFRX-UHFFFAOYSA-N- 분자식
- C7H15N
- 평균 분자량
- 113.2 g/mol
- 단동위원소 질량
- 113.12044948
이름 및 식별자
- 우선 이름
- 3,5-Dimethylpiperidine
- IUPAC
- 3,5-dimethylpiperidine
- 현지명
- 디메틸피페리딘(3,5-)
- 영어명
- 3,5-Dimethylpiperidine
- 분자식
- C7H15N
- 분자량
- 113.2
이름 및 동의어
3,5-DimethylpiperidinePiperidine, 3,5-dimethyl-EINECS 252-730-6DTXSID80865790RefChem:91614DTXCID30814157252-730-6IDWRJRPUIXRFRX-UHFFFAOYSA-N35794-11-73,5-LupetidineMFCD00005996trans-3,5-dimethylpiperidine
이름 더 보기
디메틸피페리딘(3,5-)벤즈알데히드3,5-디메틸피페리딘35LPT3,5-LupeptidineAKOS BBS-00003678DIMETHYLPIPERIDINE3,5-Dimethylpiperidi3,5-dimethyl-piperidinHEXAHYDRO-3,5-LUTIDINE
3alpha,5beta-Dimethylpiperidine3,5-Dimethylpiperidine, cis and trans32452-46-3piperidine, 3,5-dimethyl-, (3R,5R)-rel-(3R,5R)-3,5-dimethylpiperidine3,5-Dimethylpiperidine, cis + trans3,5-dimethylpiperdine3,5 dimethylpiperidine
데이터베이스 식별자
- CAS
35794-11-7- PubChem CID
- 118259
- DTXSID
DTXSID80865790- EC Number
- 252-730-6
- Nikkaji
- J39.740G
물성
구조 계산 물성보충 중
- XLogP
- 1.5
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 62.8
실험 및 물리화학적 성질
Physical DescriptionLiquid
물리화학적 성질
- 끓는 점
- 144 °C · 144 °C(lit.)
- 밀도
- 0.853 g/mL · 0.853 g/mL at 25 °C(lit.)
- 증기압
- 6.47 hPa · 6.47hPa at 25℃
- 굴절률
- 20 · n20/D 1.4454(lit.)
- 인화점
- 91 °F · 91 °F
- 저장 조건
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 10.52 · 10.52±0.10(Predicted)
- 색상
- 무색투명~연황색
- BRN
- 102638 · 102638
- InChI
- InChI=1S/C7H15N/c1-6-3-7(2)5-8-4-6/h6-8H,3-5H2,1-2H3
- InChIKey
- IDWRJRPUIXRFRX-UHFFFAOYSA-N
- SMILES
- N1CC(C)CC(C)C1
- LogP
- 2.02 · 2.02
- NIST
- 3 · Piperidine, 3,5-dimethyl-(35794-11-7)
- EPA
- 3 · Piperidine, 3,5-dimethyl- (35794-11-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Piperidine, 3,5-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Piperidine, 3,5-dimethyl- 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: 26-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20777
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29339900
- risk_code
- 10-36/37/38
- hazard_code
- Xi,F
- safety_code
- 16-26-36/37/39-37/39-36
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <8,500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
Piperidine, 3,5-dimethyl-: ACTIVE
응용 분야
용도Reactant for synthesis of: Substituted bisphenol A derivatives as β-amyloid peptide aggregation inhibitors1 MMP-13 selective isonipecotamide α-sulfone hydroxamates2 Gem-diamines for active organocatalysts for biodiesel production3 Benzimidazole inhibitors of the antigen receptor-mediated NF-κB4 Reactant for Mannich reactions to form Ru(II) complexes5
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