3,5-Dimethylpiperidine (HCID 118259)

名称と識別子

優先名称: 3,5-Dimethylpiperidine
IUPAC: 3,5-dimethylpiperidine
現地名: 3,5-ジメチルピペリジン (cis-, trans-混合物)
英語名: 3,5-Dimethylpiperidine
分子式: C7H15N
分子量: 113.2

名称と別名

3,5-DimethylpiperidinePiperidine, 3,5-dimethyl-EINECS 252-730-6DTXSID80865790RefChem:91614DTXCID30814157252-730-6IDWRJRPUIXRFRX-UHFFFAOYSA-N35794-11-73,5-LupetidineMFCD00005996trans-3,5-dimethylpiperidine

名称をさらに表示

3,5-ジメチルピペリジン (cis-, trans-混合物)3,5-ジメチルピペリジン3,5-ルペチジン3,5-ルペチジン (cis-, trans-混合物)ヘキサヒドロ-3,5-ルチジン (cis-, trans-混合物)3,5‐ジメチルピペリジン3,5-ジメチルピペリジン, CIS AND TRANS3,5-ジメチルピペリジン, CIS体およびTRANS体混合物35LPT3,5-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

データベース識別子

CAS: 35794-11-7
PubChem CID: 118259
DTXSID: DTXSID80865790
EC Number: 252-730-6
Nikkaji: J39.740G

物性

構造計算による物性

XLogP: 1.5
極性表面積: 12 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 8
形式電荷: 0
複雑度: 62.8

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

沸点: 144 °C · 144 °C(lit.)
比重(密度): 0.853 g/mL · 0.853 g/mL at 25 °C(lit.)
蒸気圧: 6.47 hPa · 6.47hPa at 25℃
屈折率: 20 · n20/D 1.4454(lit.)
闪点: 91 °F · 91 °F
貯蔵温度: 2 · Keep in dark place,Inert atmosphere,2-8°C
外見: 液体
酸解離定数(Pka): 10.52 · 10.52±0.10(Predicted)
色: 無色透明～薄黄色
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
CAS データベース: 35794 · 35794-11-7(CAS DataBase Reference)
NISTの化学物質情報: 3 · Piperidine, 3,5-dimethyl-(35794-11-7)
EPAの化学物質情報: 3 · Piperidine, 3,5-dimethyl- (35794-11-7)

化学的性質

化学的特性clear colorless to light yellow liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 1993 3/PG 3
hs_code: 29339900
risk_code: 10-36/37/38
化審法: (5)-769
消防法: 危-4-2-III
hazard_code: Xi,F
safety_code: 16-26-36/37/39-37/39-36
hazard_class: 3
packing_group: III
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

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

Industry UsesIntermediate

General Manufacturing Information · 2 件

Pharmaceutical and Medicine Manufacturing

Piperidine, 3,5-dimethyl-: ACTIVE

応用分野 · 1 件

使用Reactant 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