Grundinformationen
- Standard-SMILES
CC(N)CCCC(C)(C)O.Cl- InChIKey
JZNBMCOSOXIZJB-UHFFFAOYSA-N- Summenformel
- C8H19NO.ClH
- Durchschnittliche Molmasse
- 181,7 g/mol
- Monoisotopische Masse
- 181,12334194
Überblick
See also: Heptaminol (has active moiety).
Namen und Bezeichner
- Bevorzugter Name
- Heptaminol Hydrochloride
- IUPAC
- 6-amino-2-methylheptan-2-ol;hydrochloride
Namen und Synonyme
Heptaminol hydrochloride543-15-76-Amino-2-methyl-2-heptanol hydrochlorideCardiosintolCortensorCorasorHeptylonIsoktamilIzoktamilRespirinEodenHeptamyl hydrochloride
Weitere Namen anzeigen
Heptamyl2-HEPTANOL, 6-AMINO-2-METHYL-, HYDROCHLORIDE2-Methyl-6-amino-2-heptanol hydrochlorideDTXSID9045891XB3RM40HIR6-Methyl-2-amino-6-heptanol hydrochlorideNSC-7584062831RP
Datenbank-Bezeichner
- CAS
543-15-7- PubChem CID
- 10969
- DTXSID
DTXSID9045891- ChEMBL
CHEMBL2107282- UNII
- XB3RM40HIR
- EC Number
- 208-837-5
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 46,3 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 91,3
Experimentelle und physikochemische Eigenschaften
Collision Cross Section132.2 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 2-Heptanol, 6-amino-2-methyl-, hydrochloride
Heptaminol hydrochloride: 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 (80%)
Zugehörige Reaktionen
7
Verknüpfte Notizen
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