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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 16.4
実験および物理化学的性質
Density
0.982 at 68 °F (USCG, 1999) - Less dense than water; will float
0.9824 @ 26 °C/4 °C
0.985 @25 °C
Solubility
SOL IN WATER, ALCOHOL & ETHER
MISCIBLE WITH ACETONE & CHLOROFORM
Flash Point
175 °F (USCG, 1999)
175 °F
Boiling Point
369.5 °F at 760 mmHg (USCG, 1999)
187-188 °C @ 756 MM HG
187 °C @760 [mm Hg]
Melting Point
52 °F (USCG, 1999)
12.4 °C
-2 °C
Vapor Pressure
0.07 [mmHg]
0.4 [mm Hg] @25 °C
Physical Description
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.
CBI; Liquid
Colorless to pale yellow liquid with a fishy odor; mp = 12.4 deg C; [CAMEO] Colorless liquid with an odor of amines; mp = 11 deg C; [Alfa Aesar MSDS]
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.)
- 闪点
- 175 °F · 175 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 水溶性
- 外見
- 液体
- 酸解離定数(Pka)
- 1 · pK1: 9.96(+1) (25°C)
- 比重
- 0.99 · 0.990 (20/4℃)
- 色
- 無色透明~ごくわずかに黄色
- PH
- 11.6 · 11.6 (10g/l, H2O, 20℃)
- 爆発限界(explosive limit)
- 2.5 · 2.5-10.6%(V)
- 水溶解度
- 混和性
- BRN
- 741855 · 741855
- 安定性
- Hygroscopic
- InChI
- 1S/C3H9NO/c4-2-1-3-5/h5H,1-4H2
- InChIKey
- WUGQZFFCHPXWKQ-UHFFFAOYSA-N
- SMILES
- NCCCO
- LogP
- -1.1 at · -1.1 at 20℃
- CAS データベース
- 156 · 156-87-6(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Propanol, 3-amino-(156-87-6)
- EPAの化学物質情報
- 3 · 3-Aminopropanol (156-87-6)
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
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
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
Hazards Summary
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]
Reactivity Profile
N-PROPANOLAMINE neutralizes acids to form salts plus water in an exothermic reaction. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Reacts with strong reducing agents, such as hydrides to generate flammable gaseous hydrogen.
Hazard Classes and Categories
Acute Tox. 4 (92.7%)
Flammable liquids - Category 4
安全と保護具
Protective Action Criteria (PAC)
4.0 [mg/m3]
44 [mg/m3]
270 [mg/m3]
毒性情報
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
- risk_code
- 22-34-20/21/22
- 化審法
- (2)-323
- 消防法
- 危-4-3-III
- hazard_code
- C,Xn
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
- 自然発火温度
- 770 °F
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
- 有毒物質データの
- 156-87-6(Hazardous Substances Data)
化学と産業
用途と製造
Uses
Used as a chemical intermediate; [HSDB]
CHEM INT FOR DEXPANTHENOL, A GASTROINTESTINAL DRUG
Organic intermediate
U.S. Exports
(1977) No Data
(1979) No Data
U.S. Imports
(1977) No Data
(1979) No Data
U.S. Production
2023: 100,000 - <250,000 lb
(1977) No Data
(1980) PROBABLY GREATER THAN 2.27X10+6 GRAMS
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Propanol, 3-amino-: ACTIVE
応用分野
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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