3-アミノ-1,2-プロパンジオール

3-Amino-1,2-propanediol

HCID 73561CAS 616-30-8

基本情報

標準SMILES
NCC(O)CO
InChIKey
KQIGMPWTAHJUMN-UHFFFAOYSA-N
分子式
C3H9NO2
平均分子量
91.11 g/mol
単同位体質量
91.06332853

概要

structure given in first source; RN given refers to parent cpd

名称と識別子

優先名称
3-Amino-1,2-propanediol
IUPAC
3-aminopropane-1,2-diol
現地名
3-アミノ-1,2-プロパンジオール
英語名
3-Amino-1,2-propanediol
分子式
C3H9NO2
分子量
91.11

名称と別名

3-Amino-1,2-propanediol616-30-81-Aminoglycerol1,2-Propanediol, 3-amino-2,3-Dihydroxypropylamine1-AminopropanediolRH369P864XNSC-67381DTXSID30862294RefChem:92848DTXCID90811081210-475-8
名称をさらに表示
3-アミノ-1,2-プロパンジオール(3-アミノ-1-ヒドロキシプロピリデン)ビスホスホン酸/ナトリウム,(1:2)2,3-ジヒドロキシプロピルアミン1-アミノ-2,3-プロパンジオールグリセロールα-モノアミン3-アミノプロパン-1,2-ジオール3‐アミノ‐1,2‐プロパンジオール(^+)-3-アミノ-1,2-プロパンジオール(±)-3-アミノ-1,2-プロパンジオール(^+)-3-アミノ-1,2-プロパンジオール, 97%APD3-amino-1,2-propanediol (APD)3--1,2-
Aminopropanediol3-Aminopropane-1,2-diol1-Amino-2,3-propanediol2,3-Propandiol-1-amine3-Amino-1,2-propandiolisoserinolMFCD00008140(S)-(-)-3-Amino-1,2-propanediol

データベース識別子

CAS
616-30-8
PubChem CID
73561
DTXSID
DTXSID30862294
UNII
RH369P864X
EC Number
210-475-8
Nikkaji
J1.661F

物性

構造計算による物性

XLogP
-2
極性表面積
66.5 Ų
水素結合供与体数
3
水素結合受容体数
3
回転可能結合数
2
重原子数
6

実験および物理化学的性質

Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

物理化学的性質

融点
55 · 55-57 °C
沸点
264 · 264-265 °C739 mm Hg(lit.)
比重(密度)
1.175 g/mL · 1.175 g/mL at 25 °C(lit.)
蒸気圧
1 hPa · <1 hPa (20 °C)
屈折率
20 · n20/D 1.492(lit.)
闪点
230 °F · >230 °F

化学的性質

化学的特性3-Amino-1,2-propanediol is a very viscous transparent colorless to pale yellow liquid with a melting point of 55-57 °C and a boiling point of 264-265 °C. The density at 25 °C is 1.175 g/mL. soluble in water.

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H314 (94%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 184 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,2-Propanediol, 3-amino-

Status: Active Update: 21-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5186

1,2-Propanediol, 3-amino-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Corr. 1B (94%)

安全データ

F
10-21
wgk
2
tsca
TSCA listed
rtecs
TY2800000
ridadr
UN 2735 8/PG 2
毒性
LD50 orally in Rabbit: 7500 mg/kg

化学と産業

用途と製造

General Manufacturing Information1,2-Propanediol, 3-amino-: ACTIVE
応用分野 · 4 件

説明3-Amino-1,2-propanediol (APD) is a calcium metabolism regulator useful in the treatment of Paget's disease, tumor-induced hypercalcemia and other bone disorders involving increased osteoclastic activity.

使用3-Amino-1,2-propanediol is used in the preparation of iohexol, which is a X-CT non-ionic contrast medium. It acts as a starting material in the production of specialty materials.

使用A chiral glycerol derivative, namely 3-amino-1,2-propanediol, was employed for as the hydrogen bond donor (HBD) in the design of a new deep eutectic solvent (DES) with choline chloride acting as the hydrogen bond acceptor (HBA). The novel mixture was characterized and unambiguously classified as a DES[4].

一般的な説明3-Amino-1,2-propanediol is a chiral glycerol derivative. It could used as a hydrogen bond donor in the design of a new deep eutectic solvent which have emerged as a suitable alternative to VOCs (volatile organic compounds) for diverse practical applications including, among others, drug delivery, electrochemistry, material design, extractions and, of course, organic reactions, alone or together twith other sustainable reaction-media[1]. It can also used as a core present in antiviral compounds to skeleton to design a novel class of anti-adenovirus agents[2].

調製方法

製造方法3-Amino-1,2-propanediol is synthesized by reacting 3-chloro-1,2-propanediol (CPD) with ammonia in alkaline environment by adding sodium hydroxide. Afterwards, the product undergoes a series of purification steps.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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