1-Dimethylaminopropan-2-ol

Dimepranol

HCID 37511CAS 108-16-7

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Grundinformationen

Standard-SMILES: CC(O)CN(C)C
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
Summenformel: C5H13NO
Durchschnittliche Molmasse: 103,16 g/mol
Monoisotopische Masse: 103,09971404

Namen und Bezeichner

Bevorzugter Name: Dimepranol
IUPAC: 1-(dimethylamino)propan-2-ol
Lokaler Name: 1-Dimethylaminopropan-2-ol
Englischer Name: 1-Dimethylamino-2-propanol
Summenformel: C5H13NO
Molmasse: 103.16

Namen und Synonyme

108-16-7Dimepranol1-(Dimethylamino)propan-2-ol1-(Dimethylamino)-2-propanolDimethylisopropanolamineN,N-DimethylisopropanolamineDimethyl(2-hydroxypropyl)amine2-PROPANOL, 1-(DIMETHYLAMINO)-Dimepranol [INN]N,N-Dimethyl-2-hydroxypropylamineDimepranolumN,N-(Dimethylamino)-2-propanol

Weitere Namen anzeigen

INNDIMETHYLAMINO-2-PROPANOL1-Dimethylamino-2-propanol,N,N-DimethylisopropanolamineDMA 2P1-DimethyLBisoMer AMine D 7001-Dimethylamino-2-pr

1,1-Dimethylaminopropanol-22-Propanol, 1,1-(dimethylamino)-DTXSID5031210Dimepranolum [INN-Latin]NSC 31632-(Dimethylamino)-1-methylethanolEINECS 203-556-4n,n-dimethylamino-2-propanol

Datenbank-Bezeichner

CAS: 108-16-7
PubChem CID: 37511
DTXSID: DTXSID5031210
ChEMBL: CHEMBL3186209
UNII: OX17195H4T
EC Number: 203-556-4
Nikkaji: J112.300I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0
Polarare Oberfläche (TPSA): 23,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 7
Formalladung: 0
Komplexität: 45,3

Experimentelle und physikochemische Eigenschaften

Chemical ClassesFlammable agents - 3rd degree

DrugsPharmaceuticals

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -85 °C · -85 °C
Siedepunkt: 96 °C · 96 °C
Dichte: 0.913 g/mL · 0.913 g/mL at 25 °C
Dampfdichte: 3.6 · 3.6 (vs air)
Dampfdruck: 8 mm · 8 mm Hg ( 20 °C)
Brechungsindex: 20 · n20/D 1.42
Flammpunkt: 96 °F · 96 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Methanol (Soluble)
Aggregatzustand: Liquid
pka: 14.95 · 14.95±0.20(Predicted)
Farbe: Clear colorless to yellow
PH: 11 · 11 (100g/l, H2O, 20℃)
Explosionsgrenze: 2.7 · 2.7-11.1%(V)
Wasserlöslichkeit: miscible
BRN: 1209244 · 1209244
Stabilität: Stable. Flammable. Incompatible with strong oxidizing agents, amines, acids.
Kosmetik-Inhaltsstoffe Funktionen: BUFFERING
InChI: 1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
SMILES: CC(O)CN(C)C
LogP: -0.12 at · -0.12 at 23℃
CAS Datenbank: 108 · 108-16-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Propanol, 1-(dimethylamino)-(108-16-7)
EPA chemische Informationen: 2 · 2-Propanol, 1-(dimethylamino)- (108-16-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 2-Propanol, 1-(dimethylamino)-

2-Propanol, 1-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-(dimethylamino)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12061

1-(Dimethylamino)-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 4 Einträge

Flam. Liq. 3 (100%)

Flammable liquid - category 3

Flammable agents - 3rd degree

Flam. Liq. 3

Sicherheitsdaten

F: 10-34
wgk: 1
tsca: TSCA listed
ridadr: UN 2734 8/PG 2
hs_code: 29221980
RTECS-Nr.: UB3150000
risk_code: 10-22-34
Toxizität: LD50 orally in Rabbit: 1360 mg/kg
hazard_code: C
safety_code: 26-36/37/39-45-36-23
hazard_class: 8
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
Selbstentzündungstemperatur: 225 °C