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3 - ジエチルアミノプロピルアミン

N,N-Diethyl-1,3-propanediamine

HCID 61011
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
104-78-9
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

104-78-93-(Diethylamino)propylamineN,N-Diethyl-1,3-propanediamine3-AminopropyldiethylamineN,N-Diethyl-1,3-diaminopropaneDiethylaminopropylamineN,N-Diethyltrimethylenediamine1,3-PROPANEDIAMINE, N,N-DIETHYL-DiethylaminotrimethylenamineN-(3-Diethylaminopropyl)amine3-(N,N-Diethylamino)-1-propylamine1-Amino-3-(diethylamino)propane
名称をさらに表示
N,N-ジエチル-1,3-ジアミノプロパン3-ジエチルアミノプロピルアミンN,N-ジエチルプロパン-1,3-ジアミンN,N-ジエチル-1,3-プロパンジアミンN,N-ジエチルトリメチレンジアミンジエチル(3-アミノプロピル)アミン3-(ジエチルアミノ)-1-プロパンアミン3-(ジエチルアミノ)プロピルアミンジエチルアミノプロピルアミンN,N-ジエチルプロパン-1,3-ジイルジアミン3‐(ジエチルアミノ)プロピルアミン3‐ジエチルアミノプロピルアミンN1,N1-ジエチル-1,3-プロパンジアミンN1,N1-ジエチルプロパン-1,3-ジアミン3 - ジエチルアミノプロピルアミンN,N-ジエチル-1,3-プロパンジアミン, 99%3-アミノプロピルジエチルアミン(3-アミノプロピル)ジエチルアミンDEAPAN1,N1-DIETHYLPROPANE-1,3-DIAMINE3-DiethylaminopropylZX DEAPAATOFINA DEAPAFENTAMINE DEAPARARECHEM AL BW 0333DiethylaMino)propylaMin3-dietgylpropanediamine
gamma-(Diethylamino)propylamineJB92D3RAVH1,3-Propanediamine, N1,N1-diethyl-NSC-7776DTXSID7059303RefChem:822344DTXCID6032851203-236-4

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 · 2 件

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

SpringerMaterials PropertiesBoiling point
Density0.82 @25 °C
Flash Point138 °F (NFPA, 2010)
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description · 3 件

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

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 · 6 件

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 · 5 件

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.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· Flammable/combustible material.

Health Hazards · 2 件

化学と産業

用途と製造

Uses · 2 件

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]

U.S. Production2023: 25,000 - <50,000 lb
Industry UsesHardener
General Manufacturing Information · 2 件

Paint and Coating Manufacturing

1,3-Propanediamine, N1,N1-diethyl-: ACTIVE

応用分野 · 4 件

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.

上流・下流製品情報

上流原料

ジエチルアミンアクリロニトリル

下流製品

N,N-ジエチル-N'-メチル-1,3-プロパンジアミン1,3-Propanediamine, N3-[(4-chlorophenyl)methyl]-N1,N1-diethyl-

関連反応

139 件
反応記録を作成
HRID 8052 の反応式
HRID 8052反応物としてuspto-grants-2006_08
HRID 67948 の反応式
HRID 67948反応物としてuspto-grants-1982_08
HRID 84411 の反応式
HRID 84411反応物としてuspto-grants-2014_09
HRID 90614 の反応式
HRID 90614反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 112432 の反応式
HRID 112432反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 142138 の反応式
HRID 142138反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 184385 の反応式
HRID 184385反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 189503 の反応式
HRID 189503反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
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化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
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

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

Hazards Summary · 1 件

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.

DOT ID and Guide2684 132
Reactive GroupAmines, Phosphines, and Pyridines
Reactivity Profile · 1 件

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.

Air and Water ReactionsFlammable.
Hazard Classes and Categories · 5 件

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

Fire FightingExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Accidental Release Measures · 2 件

· 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 · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Isolation and Evacuation · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Protective Action Criteria (PAC) · 3 件

1.7 [mg/m3]

18 [mg/m3]

110 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Emergency Response Planning Guidelines· Some of these materials may react violently with water.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

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
1H-Imidazole-1-carboxamide, N-[3-(diethylamino)propyl]-