3-Dimethylaminopropan-1,2-diol

3-(Dimethylamino)-1,2-propanediol

HCID 79078CAS 623-57-4

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Grundinformationen

Standard-SMILES: CN(C)CC(O)CO
InChIKey: QCMHUGYTOGXZIW-UHFFFAOYSA-N
Summenformel: C5H13NO2
Durchschnittliche Molmasse: 119,16 g/mol
Monoisotopische Masse: 119,09462866

Namen und Bezeichner

Bevorzugter Name: 3-(Dimethylamino)-1,2-propanediol
IUPAC: 3-(dimethylamino)propane-1,2-diol
Lokaler Name: 3-Dimethylaminopropan-1,2-diol
Englischer Name: 3-Dimethylaminopropane-1,2-diol
Summenformel: C5H13NO2
Molmasse: 119.16

Namen und Synonyme

3-(Dimethylamino)-1,2-propanediol3-Dimethylaminopropane-1,2-diol1,2-Propanediol, 3-(dimethylamino)-Dimethylamino-2,3-propanediolUNII-054QW4ZAMU054QW4ZAMU1-Dimethylamino-2,3-propanediolNSC 8655EINECS 210-802-4METHICOLAI3-15482NSC-8655

Weitere Namen anzeigen

UNII:054QW4ZAMU3-(Dimethylamino)-1,2-Propaned3-(dimethylamino)-2-propanediolγ-Dimethylaminopropylene glycolN,N-DIMETHYL-3-AMINO-1,2-PROPANEDIOL3-(Dimethylamino)-1,2-propanediol>

QCMHUGYTOGXZIW-UHFFFAOYSA-DTXSID708835091,2-DIHYDROXY-3-(DIMETHYLAMINO)PROPANERefChem:92624DTXCID601023037(+-)-3-(DIMETHYLAMINO)-1,2-PROPANEDIOL3-(DIMETHYLAMINO)-1,2-PROPANEDIOL, (+-)-InChI=1/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3

Datenbank-Bezeichner

CAS: 623-57-4
PubChem CID: 79078
DTXSID: DTXSID70883509
ChEMBL: CHEMBL26920
UNII: 054QW4ZAMU
EC Number: 210-802-4
Nikkaji: J137.967D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 43,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 8
Formalladung: 0
Komplexität: 56,4

Physikochemische Eigenschaften

Siedepunkt: 216 · 216-217 °C(lit.)
Dichte: 1.004 g/mL · 1.004 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4609(lit.)
Flammpunkt: 221 °F · 221 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: clear liquid
pka: 14.13 · 14.13±0.20(Predicted)
Wichte: 1.001 · 1.001.004
Farbe: Colorless to Light yellow
Henry's Law Constant: 6.7 · 6.7×102 mol/(m3Pa) at 25℃, Du et al. (2017)
Stabilität: Stable. Incompatible with oxidizing agents, acids.
InChI: InChI=1S/C5H13NO2/c1-6(2)3-5(8)4-7/h5,7-8H,3-4H2,1-2H3
InChIKey: QCMHUGYTOGXZIW-UHFFFAOYSA-N
SMILES: C(O)C(O)CN(C)C
CAS Datenbank: 623 · 623-57-4(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,2-Propanediol, 3-(dimethylamino)-(623-57-4)
EPA chemische Informationen: 1 · 1,2-Propanediol, 3-(dimethylamino)- (623-57-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): 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 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

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

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 3267 8/PG 2
hs_code: 2922190090
risk_code: 34
hazard_code: C
safety_code: 23-26-27-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1,2-Propanediol, 3-(dimethylamino)-: ACTIVE

Anwendungen

Verwenden3-(Dimethylamino)-1,2-propanediol was used in the preparation of:synthetic cationic lipid, N-[1-(2,3-dioleyloxy)propyl-N,N,N-trimethylammonium chloride (DOTMA), used in DNA-transfection protocolindane-derived bis(oxazolines)