基本情報
- 標準SMILES
COCCCN- InChIKey
FAXDZWQIWUSWJH-UHFFFAOYSA-N- 分子式
- C4H11NO
- 平均分子量
- 89.14 g/mol
- 単同位体質量
- 89.08406397
概要
structure in first source
名称と識別子
- 優先名称
- 3-Methoxypropylamine
- IUPAC
- 3-methoxypropan-1-amine
- 現地名
- 3-メトキシプロピルアミン
- 英語名
- 3-Methoxypropylamine
- 分子式
- C4H11NO
- 分子量
- 89.14
名称と別名
名称をさらに表示
データベース識別子
- CAS
5332-73-0- PubChem CID
- 1672
- DTXSID
DTXSID7027596- ChEMBL
CHEMBL3186458- UNII
- VT819VO82Z
- EC Number
- 226-241-3
- Nikkaji
- J3.072D
物性
構造計算による物性
- XLogP
- -0.5
- 極性表面積
- 35.3 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
- 3
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 23.5
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Other Nitrogen Compounds
Corrosives
Vapor Pressure
21.7 [mmHg]
20 [mm Hg] @30 °C
Physical Description
Liquid
Colorless liquid with an ammonia-like odor; [AIHA]
物理化学的性質
- 融点
- -65 °C · -65 °C
- 沸点
- 117 · 117-118 °C/733 mmHg (lit.)
- 比重(密度)
- 0.874 g/mL · 0.874 g/mL at 25 °C (lit.)
- 蒸気密度
- 3.07 · 3.07 (vs air)
- 蒸気圧
- 20 mm · 20 mm Hg ( 30 °C)
- 屈折率
- 20 · n20/D 1.417(lit.)
- 闪点
- 73 °F · 73 °F
- 貯蔵温度
- Flammables area
- 外見
- 液体
- 酸解離定数(Pka)
- 9.73 · 9.73±0.10(Predicted)
- 色
- 無色透明~微有色
- PH
- 11.5 · 11.5 (100g/l, H2O, 20℃)
- 爆発限界(explosive limit)
- 2.3 · 2.3-12.3%(V)
- 水溶解度
- 混和性
- BRN
- 878144 · 878144
- Henry's Law Constant
- 2.1 · 2.1×101 mol/(m3Pa) at 25℃, Du et al. (2017)
- InChI
- 1S/C4H11NO/c1-6-4-2-3-5/h2-5H2,1H3
- InChIKey
- FAXDZWQIWUSWJH-UHFFFAOYSA-N
- SMILES
- COCCCN
- LogP
- -0.5 at · -0.5 at 25℃
- CAS データベース
- 5332 · 5332-73-0(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Propanamine, 3-methoxy-(5332-73-0)
- EPAの化学物質情報
- 3 · 3-Methoxypropylamine (5332-73-0)
化学的性質
化学的特性3-methoxypropylamine (MOPA) is a clear, colorless to faintly colored liquid.It typically and an ammonia like odor. It has properties typical of primary amines and is miscible with water, ethanol, toluene, acetone, hexane and other standard solvents.Methoxypropylamine can be used in making amine soaps that can be used in dispersions and emulsions of natural and synthetic waxs used in flowing, textiles, water-based paints etc. Methoxypropylamine volatilizes with water and leaves behind an insoluble wax film. Further, methoxypropylamine in dilute solutions does not have an objectionable odor.
安全と法規制
GHS分類
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P272, P273, 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)
Aggregated GHS information provided per 418 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids]
危険有害性情報
Regulatory Information
Chemical: 1-Propanamine, 3-methoxy-
1-Propanamine, 3-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanamine, 3-methoxy- 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: 08-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13449
3-Methoxypropylamine: 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.)
Hazards Summary
Corrosive to skin; May cause skin sensitization; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause chemical pneumonitis; May cause skin sensitization; [MSDSonline] WEEL basis is TLVs of other aliphatic amines to prevent eye and upper respiratory irritation; [AIHA]
Hazard Classes and Categories
Flam. Liq. 3 (100%)
Flammable liquids - Category 3
Corrosives, Flammable agents - 3rd degree
安全と保護具
Protective Action Criteria (PAC)
15 [ppm]
170 [ppm]
990 [ppm]
毒性情報
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- UI3335000
- ridadr
- UN 2734 8/PG 2
- hs_code
- 29221980
- risk_code
- 10-34-35
- 化審法
- (2)-385
- 消防法
- 危-4-2-III
- hazard_code
- C
- safety_code
- 26-36/37/39-45-16
- hazard_class
- 8
- packing_group
- II
- 自然発火温度
- 518 °F
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Met. Corr. 1Skin Corr. 1ASkin Sens. 1
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Propanamine, 3-methoxy-: ACTIVE
応用分野
用途染料、ワックスなどの乳化剤原料、防錆剤。
使用Organic intermediate, emulsifier in anionic coatings and wax formulations.3-Methoxypropylamine (MOPA) is a liquid C3-Aminoether. It is used mainly as a corrosion inhibitor.
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