3,5-Dimethylpiperidine (HCID 118259)

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 물성

XLogP: 1.5
극성 표면적: 12 Å²
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)

화학적 성질

clear colorless to light yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

U.S. Production2023: 1,000,000 - <8,500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Pharmaceutical and Medicine Manufacturing

Piperidine, 3,5-dimethyl-: ACTIVE

응용 분야 · 1건

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