Grundinformationen
- Standard-SMILES
NCC1CCCC(CN)C1- InChIKey
QLBRROYTTDFLDX-UHFFFAOYSA-N- Summenformel
- C8H18N2
- Durchschnittliche Molmasse
- 142,24 g/mol
- Monoisotopische Masse
- 142,14699858
Überblick
inhibits both coatomer binding to Golgi membranes and secretion; structure in first source
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Bis(aminomethyl)cyclohexane
- IUPAC
- [3-(aminomethyl)cyclohexyl]methanamine
- Lokaler Name
- 1,3-Cyclohexandimethanamin
- Englischer Name
- 1,3-Cyclohexanebis(methylamine)
- Summenformel
- C8H18N2
- Molmasse
- 142.24
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
2579-20-6- PubChem CID
- 17406
- DTXSID
DTXSID4041238- ChEMBL
CHEMBL3186877- UNII
- VR58242KKB
- EC Number
- 219-941-5
- Nikkaji
- J48.534I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 83,3
Physikochemische Eigenschaften
- Schmelzpunkt
- -70 °C · -70 °C
- Siedepunkt
- 220 °C · 220 °C
- Dichte
- 0.945 g/mL · 0.945 g/mL at 25 °C(lit.)
- Dampfdruck
- 34 Pa · 34Pa at 25℃
- Brechungsindex
- 20 · n20/D 1.493(lit.)
- Flammpunkt
- 223 °F · 223 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Aggregatzustand
- Liquid
- pka
- 10.57 · 10.57±0.29(Predicted)
- Farbe
- Clear colorless
- Wasserlöslichkeit
- Soluble
- InChI
- InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2
- InChIKey
- QLBRROYTTDFLDX-UHFFFAOYSA-N
- SMILES
- C1(CN)CCCC(CN)C1
- LogP
- 0.783 at · 0.783 at 21.5℃
- CAS Datenbank
- 2579 · 2579-20-6(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1,3-Cyclohexanedimethanamine (2579-20-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (7 of 413) of reports.
Danger
H302+H312 (12.8%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 413 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-bis(aminomethyl)cyclohexane
1,3-Cyclohexanedimethanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexanedimethanamine 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: 25-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/15661
1,3-Cyclohexanedimethanamine: 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 Categories
Acute Tox. 4 (98.3%)
Acute toxicity (Oral) - Category 4
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29213000
- RTECS-Nr.
- GU7000000
- risk_code
- 20/21/22-34-22-52/53-35-21/22
- Toxizität
- LD50 orl-rat: 880 mg/kg HURC** -,-,73
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45-25-61
- hazard_class
- 8
- packing_group
- I
- Speicherklasse
- 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1A
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Paint and Coating Manufacturing
1,3-Cyclohexanedimethanamine: ACTIVE
Anwendungen
Verwenden1,3-cyclohexanebis(methylamine) be used as organic intermediates and epoxy curing agents.
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