3-アミノ-1-プロパノール

3-Amino-1-propanol

HCID 9086CAS 156-87-6

基本情報

標準SMILES
NCCCO
InChIKey
WUGQZFFCHPXWKQ-UHFFFAOYSA-N
分子式
C3H9NO
平均分子量
75.11 g/mol
単同位体質量
75.06841391

概要

N-propanolamine is a colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4 °C (54 °F). Moderately toxic by ingestion.

名称と識別子

優先名称
3-Amino-1-propanol
IUPAC
3-aminopropan-1-ol
現地名
3-アミノ-1-プロパノール
英語名
3-Aminopropanol
分子式
C3H9NO
分子量
75.11

名称と別名

3-Aminopropan-1-ol3-Aminopropanol3-Amino-1-propanol156-87-61-Propanol, 3-amino-PROPANOLAMINE3-Aminopropyl alcohol3-Propanolamine3-Hydroxypropylamine1-Amino-3-propanol1,3-Propanolamine1-Amino-3-hydroxypropane
名称をさらに表示
3-アミノ-1-プロパノール3-アミノプロピルアルコール3-ヒドロキシプロピルアミン3-ヒドロキシプロパン-1-アミンプロパノールアミン3-アミノプロパン-1-オール3-アミノ-1-プロパノ-ルN-プロパノールアミン3アミノ1プロパノルn-プロパノールアミン(3-アミノ-1-プロパノール)3-アミノ-1-プロパノ?ル3‐アミノ‐1‐プロパノール3-アミノ-1-プロパノール, 99%monopropanolamine3-Hydroxy-1-aminopropane3-AIMNOPROPANOL
beta-Alaninolgamma-Aminopropanol3-Hydroxy-1-propylaminegamma-Hydroxy-1-propylamineYMA7C44XGYNSC-7766DTXSID0059746CHEBI:143408

データベース識別子

CAS
156-87-6
PubChem CID
9086
DTXSID
DTXSID0059746
ChEMBL
CHEMBL115530
ChEBI
CHEBI:143408
UNII
YMA7C44XGY
EC Number
205-864-4
Nikkaji
J2.560G

物性

構造計算による物性

XLogP
-1.1
極性表面積
46.3 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

実験および物理化学的性質

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Density · 3 件

0.982 at 68 °F (USCG, 1999) - Less dense than water; will float

0.9824 @ 26 °C/4 °C

0.985 @25 °C

Color/FormCOLORLESS LIQUID
Solubility · 2 件

SOL IN WATER, ALCOHOL & ETHER

MISCIBLE WITH ACETONE & CHLOROFORM

Flash Point · 2 件

175 °F (USCG, 1999)

175 °F

物理化学的性質

融点
10 · 10-12 °C (lit.)
沸点
184 · 184-187 °C (lit.)
比重(密度)
0.982 g/mL · 0.982 g/mL at 20 °C (lit.)
蒸気密度
2.59 · 2.59 (vs air)
蒸気圧
2.1 mm · 2.1 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.4598(lit.)

化学的性質

化学的特性clear colourless to very slightly yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.4% (1 of 259) of reports.

Danger

H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 259 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Propanol, 3-amino-

1-Propanol, 3-amino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanol, 3-amino- 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: 17-03-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/13762

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

DOT LabelCorrosive
Fire HazardsSpecial Hazards of Combustion Products: Toxic oxides of nitrogen may form in fire.
Health HazardsIf inhaled may be harmful. Contact may cause burns to skin and eyes. (Organic base.) (USCG, 1999)
Hazards Summary · 1 件

A severe eye and moderate to severe skin irritant; [RTECS] Moderately toxic by ingestion; [CAMEO] A moderate irritant; [HSDB] A fairly severe skin irritant that may cause second-degree burns following a few minutes contact; Causes irritation or burns to eyes; Vapors cause moderate irritation; [CHRIS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]

Reactive GroupAlcohols and Polyols

安全と保護具

Fire FightingFire Extinguishing Agents: Small fires: Dry chemical, CO2, water spray or alcohol foam. Large fires: Water spray, fog or alcohol foam. (USCG, 1999)
First AidINHALATION: Move victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Nonfire Spill ResponseNeutralizing Agents for Acids and Caustics: Cover spilled material with sodium bisulfate. Flush with water. (USCG, 1999)
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Protective Action Criteria (PAC) · 3 件

4.0 [mg/m3]

44 [mg/m3]

270 [mg/m3]

Personal Protective Equipment (PPE)Wear butyl rubber gloves and face shield or all-purpose canister respirator for spills. Wear self-contained breathing apparatus and full protective clothing for fires. (USCG, 1999)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity ExcerptsMODERATELY TOXIC BY INGESTION; MODERATE IRRITANT TO TISSUE.

安全データ

wgk
1
tsca
TSCA listed
rtecs
UA5600000
ridadr
UN 2735 8/PG 2
毒性
LD50 orally in Rabbit: 1300 mg/kg LD50 dermal Rat > 2000 mg/kg
hs_code
29221980

化学と産業

用途と製造

Uses · 3 件

Used as a chemical intermediate; [HSDB]

CHEM INT FOR DEXPANTHENOL, A GASTROINTESTINAL DRUG

Organic intermediate

U.S. Exports · 2 件

(1977) No Data

(1979) No Data

U.S. Imports · 2 件

(1977) No Data

(1979) No Data

U.S. Production · 3 件

2023: 100,000 - <250,000 lb

(1977) No Data

(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS

Industry UsesOther
Formulations/PreparationsGRADE: 99% PURE.
応用分野 · 4 件

用途胃腸薬の中間体

用途有機合成原料。

使用Organic intermediate.

一般的な説明Colorless to pale yellow liquid with a fishy odor. Less dense than water. Melting point 12.4°C (54°F). Moderately toxic by ingestion.

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関連反応

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