基本情報
- 標準SMILES
COCC(C)N- InChIKey
NXMXETCTWNXSFG-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
Methoxyisopropylamine appears as a colorless liquid,with a pungent, ammonia-like odor. Less dense than water. Vapors heavier than air. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.
名称と識別子
- 優先名称
- Methoxyisopropylamine
- IUPAC
- 1-methoxypropan-2-amine
- 現地名
- 2-メトキシ-1-メチルエタンアミン
- 英語名
- 1-Methoxy-2-propylamine
- 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
37143-54-7、49548-27-8- PubChem CID
- 123458
- DTXSID
DTXSID4029359- ChEMBL
CHEMBL3184692- UNII
- 35BQ7GUH18
- EC Number
- 422-550-4、609-333-1
- Nikkaji
- J303.829G
物性
構造計算による物性
- XLogP
- -0.4
- 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
- 2
- 重原子数
- 6
- 形式電荷
- 0
- 複雑度
- 30.7
実験および物理化学的性質
Physical Description
Methoxyisopropylamine appears as a colorless liquid,with a pungent, ammonia-like odor. Less dense than water. Vapors heavier than air. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.
Liquid
物理化学的性質
- 沸点
- 92.5 · 92.5-93.5 °C/743 mmHg (lit.)
- 比重(密度)
- 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
- 蒸気圧
- 38.4 · 38.4-50.54hPa at 20-25℃
- 屈折率
- 20 · n20/D 1.4065(lit.)
- 闪点
- 48 °F · 48 °F
- 貯蔵温度
- -20 °C · Storage temp. -20°C
- 溶解性
- Chloroform (Soluble), Methanol (Slightly)
- 酸解離定数(Pka)
- 8.84 · 8.84±0.10(Predicted)
- 外見
- Liquid
- InChI
- 1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3
- InChIKey
- NXMXETCTWNXSFG-UHFFFAOYSA-N
- SMILES
- COCC(C)N
- LogP
- -2.35 · -2.35--0.28 at 25℃ and pH7.15-11
- EPAの化学物質情報
- 1 · 1-Methoxy-2-propylamine (37143-54-7)
化学的性質
化学的特性Brown Syrup
安全と法規制
GHS分類
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
2-Propanamine, 1-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, 1-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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4675
Status: Active Update: 28-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/7581
Reactivity Profile
METHOXYISOPROPYLAMINE 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. 2 (100%)
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
安全と保護具
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- risk_code
- 11-22-34-52/53
- hazard_code
- F,C
- safety_code
- 9-26-36/37/39-45-61
- hazard_class
- 3.1
- packing_group
- II
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Flam. 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
General Manufacturing Information
All Other Basic Inorganic Chemical Manufacturing
2-Propanamine, 1-methoxy-: ACTIVE
応用分野
使用1-Methoxy-2-propylamine is used in the preparation of heterocyclic compounds, as integrase inhibiting antiviral agents.
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