Grundinformationen
- CAS
13897-55-7- Standard-SMILES
CC1CCC(N)CC1N- InChIKey
QTKDDPSHNLZGRO-UHFFFAOYSA-N- Summenformel
- C7H16N2
- Durchschnittliche Molmasse
- 128,22 g/mol
- Monoisotopische Masse
- 128,13134851
Namen und Bezeichner
- Bevorzugter Name
- 1,3-Cyclohexanediamine, 4-methyl-
- IUPAC
- 4-methylcyclohexane-1,3-diamine
- Lokaler Name
- 2,4-Diamino-1-methyl-cyclohexan
- Englischer Name
- 4-methylcyclohexane-1,3-diamine
- Summenformel
- C7H16N2
- Molmasse
- 128.21534
Namen und Synonyme
13897-55-71,3-Cyclohexanediamine, 4-methyl-4-Methyl-1,3-cyclohexanediamine2,4-Diaminomethylcyclohexane2,4-Diamino-1-methylcyclohexaneEINECS 237-666-92,4-Cyclohexanediamine, 1-methyl-DTXSID40884725RefChem:72545DTXCID2010241521,3-Cyclohexanediamine, 4-methyl-(8CI,9CI)4-Methylcyclohexane-1,3-diamine
Weitere Namen anzeigen
HTDAMethylcyclohexanediamine2,4(6)-diamino-1-methylcyclohexaneMethyl cyclohexadiamine4-methyl-3-cyclohexanediamine1-methyl-4-cyclohexanediamine1-Methyl-2,4-cyclohexanediamine
SCHEMBL185762SCHEMBL11846096SCHEMBL27519493SCHEMBL28278116QTKDDPSHNLZGRO-UHFFFAOYSA-NMFCD00036013AKOS006339871DS-016840
Datenbank-Bezeichner
- CAS
13897-55-7- PubChem CID
- 117174
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,1
- Polarare Oberfläche (TPSA)
- 52 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 92,9
Experimentelle und physikochemische Eigenschaften
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 227.68 °C · 227.68°C (rough estimate)
- Dichte
- 0.9394 · 0.9394 (rough estimate)
- Brechungsindex
- 1.474 · 1.4740 (estimate)
- pka
- 10.56 · 10.56±0.70(Predicted)
- InChI
- InChI=1S/C7H16N2/c1-5-2-3-6(8)4-7(5)9/h5-7H,2-4,8-9H2,1H3
- InChIKey
- QTKDDPSHNLZGRO-UHFFFAOYSA-N
- SMILES
- C1(N)CCC(C)C(N)C1
- EPA chemische Informationen
- 1 · 1,3-Cyclohexanediamine, 4-methyl- (13897-55-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 141 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1,3-Cyclohexanediamine, 4-methyl-
1,3-Cyclohexanediamine, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Cyclohexanediamine, 4-methyl- 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.
1,3-Cyclohexanediamine, 4-methyl-: 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.
Other Safety InformationAssessment (Certificate) - 1,3-Cyclohexanediamine, 4-methyl-: Health and Environment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesHardener
General Manufacturing Information
Plastics Product Manufacturing
1,3-Cyclohexanediamine, 4-methyl-: ACTIVE
Anwendungen
Verwenden4-Methylcyclohexane-1,3-diamine (HTDA) is an important organic compound primarily used in the production of high-end epoxy resin curing agents, which impart excellent mechanical properties, corrosion resistance and heat resistance to epoxy resins. It can also be used in the synthesis of polyamide resins. In the pharmaceutical and chemical industries, it serves as a key intermediate in the synthesis of various drugs, including antibacterial and antihistamine agents, and can also be used to construct bioactive molecules to support biomedical research. In the field of surfactants, it can be used to prepare cationic surfactants with emulsifying and bactericidal properties, as well as amphoteric surfactants that are biocompatible and low-irritant. It also has widespread applications in industries such as detergents and cosmetics.
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江西益众化工有限公司15307925109 15350027073 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
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