基本情報
- 標準SMILES
CN(C)CN(C)C- InChIKey
VGIVLIHKENZQHQ-UHFFFAOYSA-N- 分子式
- C5H14N2
- 平均分子量
- 102.18 g/mol
- 単同位体質量
- 102.11569845
概要
Tetramethylmethylenediamine appears as a solid or solution. Moderately toxic by ingestion and may irritate skin and eyes. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment.
名称と識別子
- 優先名称
- N,N,N',N'-Tetramethylmethanediamine
- IUPAC
- N,N,N',N'-tetramethylmethanediamine
- 現地名
- N,N,N',N'-テトラメチルジアミノメタン
- 英語名
- N,N,N',N'-Tetramethyldiaminomethane
- 分子式
- C5H14N2
- 分子量
- 102.18
名称と別名
名称をさらに表示
データベース識別子
- CAS
51-80-9- PubChem CID
- 5829
- DTXSID
DTXSID1058761- UNII
- Z870I525KS
- EC Number
- 200-124-7
- Nikkaji
- J48.656F
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 6.5 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 35.3
実験および物理化学的性質
Physical Description
Tetramethylmethylenediamine appears as a solid or solution. Moderately toxic by ingestion and may irritate skin and eyes. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment.
Liquid
Colorless liquid; [Alfa Aesar MSDS]
物理化学的性質
- 融点
- -55 °C · -55°C
- 沸点
- 85 °C · 85 °C(lit.)
- 比重(密度)
- 0.749 g/mL · 0.749 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.401(lit.)
- 闪点
- 9 °F · 9 °F
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 2 O, · sol H2O, ether
- 外見
- 液体
- 酸解離定数(Pka)
- 7.67 · 7.67±0.10(Predicted)
- 色
- 無色透明
- 水溶解度
- 水に完全に混和します。
- BRN
- 1731946 · 1731946
- 安定性
- 安定しているが引火性が高い。酸、酸塩化物、酸無水物、強力な酸化剤、二酸化炭素とは混和しません。
- InChI
- 1S/C5H14N2/c1-6(2)5-7(3)4/h5H2,1-4H3
- InChIKey
- VGIVLIHKENZQHQ-UHFFFAOYSA-N
- SMILES
- CN(C)CN(C)C
- CAS データベース
- 51 · 51-80-9(CAS DataBase Reference)
- EPAの化学物質情報
- Methanediamine, N,N,N',N'-tetramethyl- (51-80-9)
化学的性質
化学的特性slightly yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 151 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Methanediamine, N,N,N',N'-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanediamine, N,N,N',N'-tetramethyl- 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: 29-10-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/11331
Reactivity Profile
TETRAMETHYLMETHYLENEDIAMINE may react vigorously when exposed to oxidizing agents. Neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides. Not easily ignited, but may burn when exposed to heat.
CSL Reaction Information
CSL00136
TERT-BUTYLLITHIUM + N,N,N',N'-TETRAMETHYLDIAMINOMETHANE
Potential Explosion Hazard Of -Lithiated Amines
Explosive
M (up to 100g)
5.6 g of isolated lithiated bis(dimethylamino)-methane cause explosion when drying in vacuo
安全と保護具
毒性情報
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- PA6700000
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29212900
- risk_code
- 11-34
- 消防法
- 危-4-1-II
- hazard_code
- F,C
- safety_code
- 16-26-36/37/39-45
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Flam. Liq. 2Skin Corr. 1B
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
応用分野
使用N,N,N',N'-Tetramethylmethylenediamine is a reagent used as a convenient source of the Mannich intermediate.
調製方法
純化方法N,N,N',N'-TETRAMETHYLDIAMINOMETHANE is dried over potassium hydroxide pellets and distilled.
上流・下流製品情報
下流製品
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