3-아미노-1,2-프로판디올

3-Amino-1,2-propanediol

HCID 73561CAS 616-30-8

기본 정보

표준 SMILES
NCC(O)CO
InChIKey
KQIGMPWTAHJUMN-UHFFFAOYSA-N
분자식
C3H9NO2
평균 분자량
91.11 g/mol
단동위원소 질량
91.06332853

개요

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

이름 및 식별자

우선 이름
3-Amino-1,2-propanediol
IUPAC
3-aminopropane-1,2-diol
현지명
3-아미노-1,2-프로판디올
영어명
3-Amino-1,2-propanediol
분자식
C3H9NO2
분자량
91.11

이름 및 동의어

3-Amino-1,2-propanediol616-30-81-Aminoglycerol1,2-Propanediol, 3-amino-2,3-Dihydroxypropylamine1-AminopropanediolRH369P864XNSC-67381DTXSID30862294RefChem:92848DTXCID90811081210-475-8
이름 더 보기
3-아미노-1,2-프로판디올아미노프로판다이올APD3-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
-2
극성 표면적
66.5 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
6

실험 및 물리화학적 성질

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

물리화학적 성질

녹는점
55 · 55-57 °C
끓는 점
264 · 264-265 °C739 mm Hg(lit.)
밀도
1.175 g/mL · 1.175 g/mL at 25 °C(lit.)
증기압
1 hPa · <1 hPa (20 °C)
굴절률
20 · n20/D 1.492(lit.)
인화점
230 °F · >230 °F

화학적 성질

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.

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
TY2800000
ridadr
UN 2735 8/PG 2
독성
LD50 orally in Rabbit: 7500 mg/kg
HS 번호
29221980

화학 및 산업

용도 및 제조

General Manufacturing Information1,2-Propanediol, 3-amino-: ACTIVE
응용 분야 · 4건

개요3-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.

용도3-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.

용도A 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].

일반 설명3-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].

제조 방법

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.

공급사50 곳

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]

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