3-Aminopropan-1,2-diol
3-Amino-1,2-propanediol
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Grundinformationen
- CAS
616-30-8- Standard-SMILES
NCC(O)CO- InChIKey
KQIGMPWTAHJUMN-UHFFFAOYSA-N- Summenformel
- C3H9NO2
- Durchschnittliche Molmasse
- 91,11 g/mol
- Monoisotopische Masse
- 91,06332853
Überblick
structure given in first source; RN given refers to parent cpd
Namen und Bezeichner
- Bevorzugter Name
- 3-Amino-1,2-propanediol
- IUPAC
- 3-aminopropane-1,2-diol
- Lokaler Name
- 3-Aminopropan-1,2-diol
- Englischer Name
- 3-Amino-1,2-propanediol
- Summenformel
- C3H9NO2
- Molmasse
- 91.11
Namen und Synonyme
3-Amino-1,2-propanediol616-30-81-Aminoglycerol1,2-Propanediol, 3-amino-2,3-Dihydroxypropylamine1-AminopropanediolRH369P864XNSC-67381DTXSID30862294RefChem:92848DTXCID90811081210-475-8
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
616-30-8- PubChem CID
- 73561
- DTXSID
DTXSID30862294- UNII
- RH369P864X
- EC Number
- 210-475-8
- Nikkaji
- J1.661F
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -2
- Polarare Oberfläche (TPSA)
- 66,5 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 6
- Formalladung
- 0
- Komplexität
- 32
Experimentelle und physikochemische Eigenschaften
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physikochemische Eigenschaften
- Schmelzpunkt
- 55 · 55-57 °C
- Siedepunkt
- 264 · 264-265 °C739 mm Hg(lit.)
- Dichte
- 1.175 g/mL · 1.175 g/mL at 25 °C(lit.)
- Dampfdruck
- 1 hPa · <1 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.492(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1000 g/l · >1000g/l soluble
- Aggregatzustand
- liquid (highly viscous)
- pka
- 12.11 · 12.11±0.35(Predicted)
- Farbe
- Clear colorless to pale yellow
- Wichte
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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.
Gefahrenhinweise
Regulatory Information
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%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29221980
- RTECS-Nr.
- TY2800000
- risk_code
- 34-36/37/38
- Toxizität
- LD50 orally in Rabbit: 7500 mg/kg
- hazard_code
- C,Xi
- hazard_note
- Corrosive
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1,2-Propanediol, 3-amino-: ACTIVE
Anwendungen
Beschreibung3-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.
Verwenden3-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.
VerwendenA 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].
Darstellung
synthetische3-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.
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