3-Amino-1,2-propanediol, (S)-

HCID 440902

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Grundinformationen

CAS: 61278-21-5
Standard-SMILES: NC[C@H](O)CO
InChIKey: KQIGMPWTAHJUMN-VKHMYHEASA-N
Summenformel: C3H9NO2
Durchschnittliche Molmasse: 91,11 g/mol
Monoisotopische Masse: 91,06332853

Namen und Bezeichner

Bevorzugter Name: 3-Amino-1,2-propanediol, (S)-
IUPAC: (2S)-3-aminopropane-1,2-diol
Englischer Name: (S)-3-Amino-1,2-propanediol
Summenformel: C3H9NO2
Molmasse: 91.11

Namen und Synonyme

61278-21-5(S)-3-Amino-1,2-propanediol(2S)-3-aminopropane-1,2-diolKN6JY9P4FB3-Amino-1,2-propanediol, (S)-RefChem:70409GlyTouCan:G29665XCG29665XC629-165-2(S)-3-Aminopropane-1,2-diol(S)-(-)-3-Amino-1,2-propanediolMFCD00798260

Weitere Namen anzeigen

98%, ee 98%R-3-Amino-1,2-propanol(S)-amino-1,2-propanediol1,2-PROPANEDIOL, 3-AMINO, (S)(S)-(-)-3-Amino-1,2-propandiol*(R)/(S)-3-Amino-1,2-propanediol

1,2-Propanediol, 3-amino-, (2S)-C3H9NO2(2S)-3-amino-1,2-propanediol(S)-(-)-3-AMINO-1,2-PROPANDIOL(2S)-2,3-Dihydroxypropylamine(2S)-3-Amino-1,2-dihydroxypropaneS-Amino-1,2-propanediolSCHEMBL119275

Datenbank-Bezeichner

CAS: 61278-21-5
PubChem CID: 440902
DTXSID: DTXSID001365974
ChEBI: CHEBI:1456
UNII: KN6JY9P4FB
EC Number: 629-165-2
Nikkaji: J1.097.212D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -2
Polarare Oberfläche (TPSA): 66,5 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 32

Physikochemische Eigenschaften

Schmelzpunkt: 54 · 54-56°C
Siedepunkt: 117 · 117-119 °C/0.4 mmHg (lit.)
Dichte: 1.175 g/mL · 1.175 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.483(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid To Low Melting Solid
pka: 12.11 · 12.11±0.35(Predicted)
Farbe: Colorless to white
Wasserlöslichkeit: Soluble in water.
BRN: 1719122 · 1719122
InChI: 1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1
InChIKey: KQIGMPWTAHJUMN-VKHMYHEASA-N
SMILES: NC[C@H](O)CO
CAS Datenbank: 61278 · 61278-21-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Sicherheitsdaten

F: 10-34
wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29221990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen

Verwenden(S)-(-)-3-Amino-1,2-propanediol is used as a chiral selector ligand, used subsequently for a nucleophilic substitution with the dimethoxytrityl (DMT)-protected