1H-Imidazole-1-propanamine (HCID 78736)

Überblick

3-(1H-imidazol-1-yl)propylamine is a member of imidazoles.

Namen und Bezeichner

Bevorzugter Name: 1H-Imidazole-1-propanamine
IUPAC: 3-imidazol-1-ylpropan-1-amine
Lokaler Name: 1H-Imidazol-1-propylamin
Englischer Name: N-(3-Aminopropyl)-imidazole
Summenformel: C6H11N3
Molmasse: 125.17

Namen und Synonyme

1-(3-Aminopropyl)imidazole5036-48-61H-Imidazole-1-propanamineQN37N4JU4VDTXSID70636851-[3-Aminopropyl]imidazoleRefChem:438371DTXCID6040822225-730-9N-(3-Aminopropyl)-imidazole3-(1H-Imidazol-1-Yl)Propan-1-AmineN-(3-Aminopropyl)imidazole

Weitere Namen anzeigen

N3APILupragen APILUPRAGEN(R) API1-(3-AminopropyLN-(3-Aminopropyl)-imAminopropylimidazole3-Imidazo Propyl Amine

3-imidazol-1-ylpropan-1-amineMFCD000098191-(3-Aminopropyl)-1H-imidazole3-(1H-imidazol-1-yl)propylamine1-(3-aminopropyl) imidazole1-(3-Aminopropyl)-imidazole3-(imidazol-1-yl)propylamine3-IMIDAZOLYLPROPYLAMINE

Datenbank-Bezeichner

CAS: 5036-48-6
PubChem CID: 78736
DTXSID: DTXSID7063685
ChEMBL: CHEMBL3984871
ChEBI: CHEBI:194835
UNII: QN37N4JU4V
EC Number: 225-730-9
Nikkaji: J203.264C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,6
Polarare Oberfläche (TPSA): 43,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 9
Formalladung: 0
Komplexität: 74,7

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -68 °C · -68 °C
Siedepunkt: 296 °C · 296 °C
Dichte: 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
Dampfdruck: 0.12 Pa · 0.12Pa at 20℃
Brechungsindex: 20 · n20/D 1.519(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid
pka: 9.08 · 9.08±0.10(Predicted)
Farbe: Clear colorless
PH: 11.3 · 11.3 (10g/l, H2O, 20℃)
Explosionsgrenze: 1 · 1.0-6.4%(V)
Wasserlöslichkeit: miscible
InChI: 1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
InChIKey: KDHWOCLBMVSZPG-UHFFFAOYSA-N
SMILES: NCCCn1ccnc1
LogP: -0.57 at · -0.57 at 23℃
CAS Datenbank: 5036 · 5036-48-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-(3-Aminopropyl)imidazole(5036-48-6)
EPA chemische Informationen: 1 H-Imidazole-1-propanamine · 1H-Imidazole-1-propanamine (5036-48-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (82.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 223 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 5 Einträge

Chemical: 1H-Imidazole-1-propanamine

1H-Imidazole-1-propanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-propanamine 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11509

1H-Imidazole-1-propanamine: 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 CategoriesAcute Tox. 4 (82.1%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 3267 8/PG 2
hs_code: 29332990
risk_code: 34-22
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 Einträge

All Other Basic Organic Chemical Manufacturing

1H-Imidazole-1-propanamine: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1-(3-Aminopropyl)imidazole is used in the synthesis of pH-sensitive polyaspartamide derivatives. It is also used in the preparation of pH-sensitive amphiphilic polymers with different degrees of octaceylamine (C18) substitution by graft reaction.