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1,3-ジアミノプロパン

1,3-Propanediamine

HCID 428
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印刷プレビュー
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
部分構造検索類似構造を探す

基本情報

CAS
109-76-2
標準SMILES
NCCCN
InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N
分子式
C3H10N2
平均分子量
74.13 g/mol
単同位体質量
74.08439833

概要

1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)

名称と識別子

優先名称
1,3-Propanediamine
IUPAC
propane-1,3-diamine
現地名
1,3-ジアミノプロパン
英語名
1,3-Diaminopropane
分子式
C3H10N2
分子量
74.12

名称と別名

1,3-diaminopropane1,3-Propanediamine109-76-2Trimethylenediamine1,3-Propylenediamine3-Aminopropylaminealpha,omega-Propanediamine1,3-diaminepropaneCB3ISL56KGNSC-8154DTXSID1021906CHEBI:15725
名称をさらに表示
1,3-ジアミノプロパン1，3ジアミノプロパン1,3-プロパンジアミントリメチレンジアミン1,3‐プロパンジアミン1,3-ジアミノプロパン, 98%H2N(CH2)3NH213DAP3-Propanediamine1,3-DiaMinopropane, 99% 1LTFENTAMINE PDAAKOS BBS-000042811,3 Diaminopropan
RefChem:72575DTXCID301906203-702-7611-082-8Propane-1,3-diamine1,3-diaminopropanaminopropylamineMFCD00008228

データベース識別子

CAS
109-76-2、54018-94-9
PubChem CID
428
DTXSID
DTXSID1021906
ChEMBL
CHEMBL174324
ChEBI
CHEBI:15725
UNII
CB3ISL56KG
EC Number
203-702-7、611-082-8
Nikkaji
J1.969K

物性

構造計算による物性

XLogP
-1.4
極性表面積
52 Ų
水素結合供与体数
2
水素結合受容体数
2
回転可能結合数
2
重原子数
5
形式電荷
0
複雑度
12.4

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP · 2 件

-1.43

-1.43

Density · 2 件

0.881 at 68 °F (NTP, 1992) - Less dense than water; will float

0.8881 @25 °C

SolubilitySoluble (NTP, 1992)
Flash Point75 °F (NTP, 1992)
Boiling Point · 2 件

275.9 °F at 738 mmHg (NTP, 1992)

139.80 °C. @ 760.00 mm Hg

Melting Point · 3 件

10 °F (NTP, 1992)

-12 °C

-12 °C

Vapor Density2.5 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure11.5 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

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 (99.6%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 251 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

危険有害性情報

Regulatory Information · 4 件

Chemical: 1,3-Propanediamine

1,3-Propanediamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Propanediamine 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: Trimethylenediamine (EC: 203-702-7)

1,3-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
DOT LabelCorrosive Flammable Liquid
Fire HazardsThis compound is a flammable liquid. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a strong irritant to eyes and skin: corrosive HAZARDOUS DECOMPOSITION PRODUCTS. (NTP, 1992)
Hazards Summary · 1 件

化学と産業

薬理情報

Cellular LocationsCytoplasm
Metabolite Pathwaysbeta-Alanine metabolism

用途と製造

UsesUsed as an organic intermediate; [NTP]
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1,3-Propanediamine: ACTIVE

応用分野 · 4 件

解説1,3-propanediamine．C3H10O2(74.13)．H2N(CH2)3NH2．臭化トリメチレンにアルコール性アンモニアを作用させると得られる．アンモニア臭をもつ液体．融点－22 ℃，沸点140 ℃．d420"0.888．nD20"1.459．K 3.5×10－4(25 ℃)．水，エタノール，ベンゼンに可溶．放置すると二酸化炭素を吸収する．ポリアミド，アニオン系洗剤のソフナー，木綿の加工用樹脂原料，架橋剤として用いられる．有毒で眼，粘膜，皮膚をおかす．LD50 350 mg/kg(ラット，経口)．[CAS 109-76-2]森北出版「化学辞典（第2版）

用途エポキシ樹脂硬化剤

使用1,3-Diaminopropane is commonly used in the preparation of cholinesterase inhibitors and thrombosis inhibitors. It is also used as a polymer cross linkage agent, polyurethane extender and spray coatings. It is involved in the preparation of agrochemicals and pharmaceutical intermediates. Further, it acts as a building block in the synthesis of heterocyclic compounds, which finds application in textile finishing. In addition to this, it is used as a ligand and form coordination complexes. 1,3-Diaminopropane is also utilized for the production of a chelating agent used in the photo industry and for anticorrosion agents.

一般的な説明Water-white mobile liquid with an odor of amine.

調製方法 · 1 件

関連反応

458 件
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HRID 20778 の反応式
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HRID 22220 の反応式
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1 / 58 ページ

化合物ノート

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Physical Description · 4 件

1,3-diaminopropane is a water-white mobile liquid with an odor of amine. (NTP, 1992)

Liquid

Colorless to yellow liquid with an amine odor; [CHEMINFO (MSDS)] Colorless liquid with an odor of amines; [CAMEO]

Liquid

物理化学的性質

融点
-12 °C · -12 °C
沸点
140 °C · 140 °C(lit.)
比重(密度)
0.888 g/mL · 0.888 g/mL at 25 °C(lit.)
蒸気圧
8 mm · <8 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.458(lit.)
闪点
120 °F · 120 °F
貯蔵温度
30 °C · Store below +30°C.
溶解性
DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka)
10.94 · 10.94(at 10℃)
外見
液体
色
クリア
PH
12 · >12 (100g/l, H2O, 20℃)
爆発限界(explosive limit)
2.8 · 2.8-15.2%(V)
水溶解度
溶ける
BRN
605277 · 605277
Dielectric constant
9.6 · 9.6(Ambient)
安定性
安定。吸湿性。可燃性 - 空気と爆発性混合物を容易に形成します。酸無水物、酸塩化物、酸、強力な酸化剤とは相容れない。
InChI
1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKey
XFNJVJPLKCPIBV-UHFFFAOYSA-N
SMILES
NCCCN
LogP
-1.05 at · -1.05 at 25℃
CAS データベース
109 · 109-76-2(CAS DataBase Reference)
NISTの化学物質情報
1 · 1,3-Propanediamine(109-76-2)
EPAの化学物質情報
1 · 1,3-Diaminopropane (109-76-2)

化学的性質

化学的特性colourless liquid

Corrosive to skin; [Quick CPC] Highly irritating or corrosive to skin and eyes; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]

Reactive GroupAmines, Phosphines, and Pyridines
Reactivity AlertsHighly Flammable
Reactivity Profile1,3-DIAMINOPROPANE is heat sensitive. This compound may react with oxidizing agents. (NTP, 1992)
Air and Water ReactionsHighly flammable. Water soluble.
Hazard Classes and Categories · 2 件

Flam. Liq. 3 (99.6%)

Flammable liquids - Category 2

安全と保護具

Fire Fighting · 1 件

This compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Protective Action Criteria (PAC) · 3 件

0.93 [mg/m3]

10 [mg/m3]

62 [mg/m3]

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.

安全データ

F
34
wgk
2
tsca
TSCA listed
rtecs
TX6825000
ridadr
UN 2922 8/PG 2
毒性
LD50 orally in Rabbit: 700 mg/kg LD50 dermal Rabbit 200 mg/kg
hs_code
29212900
risk_code
10-22-24-35
化審法
(2)-149
消防法
危-4-2-III
hazard_code
T,C
safety_code
26-36/37/39-45-25-16
hazard_class
3
packing_group
III
自然発火温度
662 °F
Hazard Classifications
Acute Tox. 2 DermalAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Resp. Sens. 1BSkin Corr. 1BSkin Sens. 1B
ストレージクラス
3 - Flammable liquids

1,3-Diaminopropane is produced in a twostage continuous process, under a pressure of 10 – 20 MPa. In a first reactor, acrylonitrile reacts with excess ammonia at 70 – 100 ℃ to give 2-aminopropionitrile and bis(cyanoethyl) amine. The mixture of aminonitriles is then hydrogenated in a downstream reactor over a fixed-bed catalyst (cobalt or nickel) at 60 – 120 ℃ to give 1,3-diaminopropane and bis (aminopropyl)amine. The yield of 1,3- diaminopropane can be increased by adding a polar solvent and water or by using a large excess of ammonia.

上流・下流製品情報

上流原料

Ethanol solution1,2-ジブロモプロパングルタルアミドN-カルボベンゾキシ-1,3-ジアミノプロパン塩酸塩1,3-ジブロモプロパン1,3-プロパンジオール3-アミノプロピオニトリル1,3-ジクロロプロパン (1mg/mlメタノール溶液) [水質分析用]

下流製品

rac-2β*-(2-メチルベンジルオキシ)-4α*-イソプロピル-1α*-メチル-7-オキサビシクロ[2.2.1]ヘプタンN-(tert-ブトキシカルボニル)-1,2-ジアミノエタンCocoamidopropyl betainedihydroxyethyl p-octadecyl phenylsulfonyl amino propyl ammoium propylsulfonateホモピペラジンN-(tert-ブトキシカルボニル)-1,3-ジアミノプロパンPropanenitrile, 3-[(3-aminopropyl)amino]-2,3,4,5-テトラヒドロ-1H-1,5-ベンゾジアゼピン3,3'-[(プロパン-1,3-ジイル)ビスイミノ]ビス(プロパン-1-アミン)2-(3,4-ジメチルフェニル)ピリジン
補足説明 · 1 件

定義ChEBI: 1,3-Diaminopropane is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolite. It is a conjugate base of a trimethylenediaminium.