3-Amino-1,2-propanediol

HCID 73561

Basic information

CAS
616-30-8
Standard SMILES
NCC(O)CO
InChIKey
KQIGMPWTAHJUMN-UHFFFAOYSA-N
Molecular formula
C3H9NO2
Average molar mass
91.11 g/mol
Monoisotopic mass
91.06332853

Overview

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

Names & identifiers

Preferred name
3-Amino-1,2-propanediol
IUPAC
3-aminopropane-1,2-diol
English name
3-Amino-1,2-propanediol
Molecular formula
C3H9NO2
Molecular weight
91.11

Names & synonyms

3-Amino-1,2-propanediol616-30-81-Aminoglycerol1,2-Propanediol, 3-amino-2,3-Dihydroxypropylamine1-AminopropanediolRH369P864XNSC-67381DTXSID30862294RefChem:92848DTXCID90811081210-475-8
Show more names
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

Database identifiers

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

Properties

Computed structural properties

XLogP
-2
Topological polar surface area
66.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
6

Experimental & physicochemical properties

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

Physicochemical properties

Melting point
55 · 55-57 °C
Boiling point
264 · 264-265 °C739 mm Hg(lit.)
Density
1.175 g/mL · 1.175 g/mL at 25 °C(lit.)
vapor pressure
1 hPa · <1 hPa (20 °C)
refractive index
20 · n20/D 1.492(lit.)
Flash point
230 °F · >230 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Safety data

F
10-21
PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
2
tsca
TSCA listed
rtecs
TY2800000
ridadr
UN 2735 8/PG 2

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Propanediol, 3-amino-: ACTIVE
Applications · 4 items

Description3-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.

Uses3-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.

UsesA 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].

General Description3-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].

Preparation methods

Preparation3-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.

Suppliers100 total

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]

Related reactions

354 records

Compound notes

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