基本情報
- 標準SMILES
CCN(CC)CCCN- InChIKey
QOHMWDJIBGVPIF-UHFFFAOYSA-N- 分子式
- C7H18N2
- 平均分子量
- 130.23 g/mol
- 単同位体質量
- 130.14699858
概要
3-diethylaminopropylamine appears as a water-white liquid with a fishlike odor. May be very irritating to skin and eyes. Used to make other chemicals and as a component of adhesives.
名称と識別子
- 優先名称
- N,N-Diethyl-1,3-propanediamine
- IUPAC
- N',N'-diethylpropane-1,3-diamine
- 現地名
- 3 - ジエチルアミノプロピルアミン
- 英語名
- 3-Diethylaminopropylamine
- 分子式
- C7H18N2
- 分子量
- 130.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
104-78-9- PubChem CID
- 61011
- DTXSID
DTXSID7059303- UNII
- JB92D3RAVH
- EC Number
- 203-236-4
- Nikkaji
- J35.461I
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 29.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 5
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 50.9
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Physical Description
3-diethylaminopropylamine appears as a water-white liquid with a fishlike odor. May be very irritating to skin and eyes. Used to make other chemicals and as a component of adhesives.
Liquid
Colorless liquid with a fishy odor; [CAMEO]
物理化学的性質
- 融点
- -60 °C · -60 °C
- 沸点
- 169 · 169-171 °C(lit.)
- 比重(密度)
- 0.826 g/mL · 0.826 g/mL at 25 °C(lit.)
- 蒸気密度
- 4.4 · 4.4 (vs air)
- 蒸気圧
- 19.5 mm · 19.5 mm Hg ( 70 °C)
- 屈折率
- 20 · n20/D 1.442
- 闪点
- 138 °F · 138 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 外見
- 液体
- 酸解離定数(Pka)
- 10.32 · 10.32±0.25(Predicted)
- 比重
- 0.827 · 0.827 (20/4℃)
- 色
- 無色透明~微黄色透明
- PH
- 11.7 · 11.7 (10g/l, H2O, 20℃)
- 臭い (Odor)
- アンモニア臭
- 爆発限界(explosive limit)
- 1 % · 1.0%(V)
- 水溶解度
- 混和性
- BRN
- 741879 · 741879
- InChI
- 1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3
- InChIKey
- QOHMWDJIBGVPIF-UHFFFAOYSA-N
- SMILES
- CCN(CC)CCCN
- LogP
- 0.36 at · 0.36 at 25℃
- CAS データベース
- 104 · 104-78-9(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1,3-Propanediamine, N,N-diethyl-(104-78-9)
- EPAの化学物質情報
- 1 · 1,3-Propanediamine, N,N-diethyl- (104-78-9)
化学的性質
化学的特性clear colorless to slightly yellowish liquid
安全と法規制
GHS分類
GHS Classification
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P361+P364, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1,3-Propanediamine, N,N-diethyl-
1,3-Propanediamine, N1,N1-diethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine, N1,N1-diethyl- 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: 02-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5611
3-Diethylamino-1-propylamine: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
A skin irritant; Causes corneal damage in rabbits; Causes respiratory depression, lung changes, changes in erythrocyte count, weight loss, and effects on phosphatases and dehydrogenases in acute inhalation studies of rats; Causes somnolence and respiratory depression in oral lethal-dose studies of mice and rats; [RTECS] May cause severe irritation or burns to skin and eyes; [CAMEO] Causes burns; May cause skin sensitization; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Sigma-Aldrich MSDS] See N,N-Dimethyl-1,3-propanediamine.
Reactivity Profile
3-DIETHYLAMINOPROPYLAMINE 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.
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquid - category 3
Flammable liquids - Category 3
Corrosives, Flammable agents - 2nd degree
Flam. Liq. 3
安全と保護具
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
Protective Action Criteria (PAC)
1.7 [mg/m3]
18 [mg/m3]
110 [mg/m3]
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TX7350000
- ridadr
- UN 2684
- hs_code
- 29212900
- risk_code
- 10-21/22-34-43
- 化審法
- (2)-158
- 消防法
- 危-4-2-III
- hazard_code
- C,Xi
- safety_code
- 26-36/37/39-45
- hazard_class
- 3
- packing_group
- III
- 自然発火温度
- 419 °F
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1ASkin Sens. 1STOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
Uses
Used to make other chemicals and as a component in adhesives; [CAMEO] Used as a curing agent for epoxy resins; [NJ-HSFS]
Working with Glues and Adhesives [Category: Other]
General Manufacturing Information
Paint and Coating Manufacturing
1,3-Propanediamine, N1,N1-diethyl-: ACTIVE
応用分野
用途界面活性剤原料
用途エポキシ硬化剤、界面活性剤
使用3-Diethylaminopropylamine is used as a solvent, extraction agents and organic synthesis intermediates, dyes, pigments, surface active agent.
一般的な説明A water-white liquid with a fishlike odor. Flash point 138°F. May be very irritating to skin and eyes. Used to make other chemicals and as a component of adhesives.
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