Grundinformationen
- Standard-SMILES
NC1CC1- InChIKey
HTJDQJBWANPRPF-UHFFFAOYSA-N- Summenformel
- C3H7N
- Durchschnittliche Molmasse
- 57,09 g/mol
- Monoisotopische Masse
- 57,05784922
Überblick
Cyclopropylamine is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. It has a role as a mouse metabolite.
Namen und Bezeichner
- Bevorzugter Name
- Cyclopropylamine
- IUPAC
- cyclopropanamine
- Lokaler Name
- Cyclopropylamin
- Englischer Name
- Cyclopropylamine
- Summenformel
- C3H7N
- Molmasse
- 57.09
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
765-30-0- PubChem CID
- 69828
- DTXSID
DTXSID9061099- ChEBI
CHEBI:34660- UNII
- 8PR8XTH1X1
- EC Number
- 212-142-2
- Nikkaji
- J79.937H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 26 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 4
- Formalladung
- 0
- Komplexität
- 22,5
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -50 °C · -50 °C
- Siedepunkt
- 49 · 49-50 °C (lit.)
- Dichte
- 0.824 g/mL · 0.824 g/mL at 25 °C (lit.)
- Dampfdruck
- 4.67 psi · 4.67 psi ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.420(lit.)
- Flammpunkt
- 14 °F · −14 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- Chloroform, Ethyl Acetate (Sparingly), Methanol (Slightly)
- Aggregatzustand
- Volatile Liquid
- pka
- 1 · pK1:9.10(+1) (25°C)
- Farbe
- Clear colorless
- Wichte
- 0.824 · 0.824
- Wasserlöslichkeit
- Miscible with water, ethanol,ether and chloroform.
- Spezifische Wärmekapazität
- 2.58 J/ · Cp(liquid): 2.58 J/(g·K), at 25℃
- BRN
- 741858 · 741858
- Stabilität
- Volatile
- InChI
- 1S/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
- InChIKey
- HTJDQJBWANPRPF-UHFFFAOYSA-N
- SMILES
- NC1CC1
- LogP
- 0.07 · 0.070
- CAS Datenbank
- 765 · 765-30-0(CAS DataBase Reference)
- NIST chemische Informationen
- Cyclopropylamine(765-30-0)
- EPA chemische Informationen
- Cyclopropanamine (765-30-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 203 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclopropanamine
Cyclopropanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclopropanamine 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: 08-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5343
Cyclopropylamine: HSNO Approval: HSR004423 Approved with controls
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- hs_code
- 29213099
- RTECS-Nr.
- GZ0685500
- risk_code
- 11-22-34-36/37
- Toxizität
- LD50 orally in Rabbit: 445 mg/kg
- hazard_code
- F,C,Xi
- hazard_note
- Extremely Flammable/Harmful/Corrosive/Lachrymatory
- safety_code
- 16-26-36/37/39-45-33-7/9
- hazard_class
- 3
- packing_group
- II
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 4 OralFlam. Liq. 2Skin Corr. 1B
- Selbstentzündungstemperatur
- 527 °F
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Cyclopropanamine: ACTIVE
Anwendungen
VerwendenCyclopropylamine is used in the preparation of N-[4-(4-fluoro)phenyl-2-aminothiazol-5-yl]pyrimidin-2-yl-alkylamine derivatives. It is also used to prepare Pt(CPA)2(bismethylthiomethylenepropanedioate) and Pt(CPA)2(bisethylthiomethylenepropanedioate) complexes.
Darstellung
synthetischeCyclopropylamine is synthesized from 1,3-propanediol by bromination, cyanation, cyclization, amidation, and Hoffmann rearrangement. It is also synthesized with γ-butyrolactone and isopropanol by five steps of ring-opening esterification, cyclization, hydrolysis, acylation and Hofmann degradation.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: Cyclopropylamine is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. It has a role as a mouse metabolite.
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