基本情報
- CAS
996-35-0- 標準SMILES
CC(C)N(C)C- InChIKey
VMOWKUTXPNPTEN-UHFFFAOYSA-N- 分子式
- C5H13N
- 平均分子量
- 87.16 g/mol
- 単同位体質量
- 87.10479942
名称と識別子
- 優先名称
- N,N-Dimethylisopropylamine
- IUPAC
- N,N-dimethylpropan-2-amine
- 現地名
- N,N-ジメチルイソプロピルアミン
- 英語名
- N,N-Dimethylisopropylamine
- 分子式
- C5H13N
- 分子量
- 87.16
名称と別名
N,N-Dimethylisopropylamine996-35-0Dimethylisopropylamine2-Propanamine, N,N-dimethyl-IsopropyldimethylamineEthylamine, N,N,1-trimethyl-2-DimethylaminopropaneDTXSID2033447WA4TE070J7EINECS 213-635-5DTXCID0013447EC 213-635-5
名称をさらに表示
N,N-ジメチルイソプロピルアミンN,N-ジメチル-2-プロパンアミンN,N-ジメチルプロパン-2-アミンN-イソプロピルジメチルアミン1,N,N-トリメチルエタンアミンジメチルイソプロピルアミンイソプロピルジメチルアミンN,N-ジメチル1-メチルエタンアミンＮ，ＮジメチルイソプロピルアミンN,N-Dimethyl-2-propanamineATOFINA DMIPA(CH3)2(i-C3H7)NN,N-DIMETHYLISOPROPYIsopropyl-dimethyl-amine
RefChem:822613213-635-5InChI=1/C5H13N/c1-5(2)6(3)4/h5H,1-4HN,N-dimethylpropan-2-amineN-IsopropyldimethylamineN,N-DimethyllisopropylamineDMIPAdimethyl-isopropyl-amine
データベース識別子
- CAS
996-35-0- PubChem CID
- 70452
- DTXSID
DTXSID2033447- ChEMBL
CHEMBL1524256- UNII
- WA4TE070J7
- EC Number
- 213-635-5
- Nikkaji
- J149.687E
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 3.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 30.9
実験および物理化学的性質
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physical DescriptionLiquid
物理化学的性質
- 融点
- -115.88 °C · -115.88°C (estimate)
- 沸点
- 65.5 °C752 · 65.5 °C752 mm Hg(lit.)
- 比重(密度)
- 0.715 g/mL · 0.715 g/mL at 25 °C(lit.)
- 蒸気圧
- 18.99 kPa · 18.99kPa at 20℃
- 屈折率
- 20 · n20/D 1.3905(lit.)
- 闪点
- -9 °C · -9 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 外見
- clear liquid
- 酸解離定数(Pka)
- 9.91 · 9.91±0.50(Predicted)
- 色
- Colorless to Almost colorless
- PH
- 11.5 · 11.5 (100g/l, H2O, 20℃)
- 爆発限界(explosive limit)
- 1 · 1.0-8.1%(V)
- 水溶解度
- 100 g/L · 100g/L at 25℃
- BRN
- 1696929 · 1696929
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 171 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2-Propanamine, N,N-dimethyl-
2-Propanamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, N,N-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)
REACH registered substance: N,N-dimethylisopropylamine (EC: 213-635-5)
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
安全と保護具
Protective Action Criteria (PAC)
7.2 [mg/m3]
23 [mg/m3]
140 [mg/m3]
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29211990
- risk_code
- 11-34-51/53-20/22
化学と産業
用途と製造
U.S. Production2023: 75,000 - <500,000 lb
Industry UsesIntermediate
General Manufacturing Information
Plastics Material and Resin Manufacturing
2-Propanamine, N,N-dimethyl-: ACTIVE
応用分野
一般的な説明N,N-Dimethylisopropylamine may be used as an alkylating agent in the preparation of N-methylaniline via palladium catalyzed N-methylation of aniline under microwave condition. It may also be used to prepare a hypergolic ionic liquid by reacting with hydrazoic acid.
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関連反応
3 件
化合物ノート
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