Grundinformationen
- Standard-SMILES
CCCCCN(C)CCC(=O)O.Cl- InChIKey
YDWXRULMHQZBEX-UHFFFAOYSA-N- Summenformel
- C9H20ClNO2
- Durchschnittliche Molmasse
- 209,71 g/mol
- Monoisotopische Masse
- 209,1182566
Namen und Bezeichner
- Bevorzugter Name
- 3-(N-Methylpentylamino)propionic acid hydrochloride
- IUPAC
- 3-[methyl(pentyl)amino]propanoic acid;hydrochloride
- Englischer Name
- 3-(N-Methylpentylamino)propionic acid hydrochloride
- Summenformel
- C9H20ClNO2
- Molmasse
- 209.71
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
625120-81-2- PubChem CID
- 16726423
- DTXSID
DTXSID20587383- UNII
- E7FT72BUU1
- EC Number
- 613-046-7
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 126
Physikochemische Eigenschaften
- Schmelzpunkt
- 101 · 101-103°C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C9H19NO2.ClH/c1-3-4-5-7-10(2)8-6-9(11)12;/h3-8H2,1-2H3,(H,11,12);1H
- InChIKey
- YDWXRULMHQZBEX-UHFFFAOYSA-N
- SMILES
- Cl.N(CCCCC)(CCC(=O)O)C
- CAS Datenbank
- 625120 · 625120-81-2(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Danger
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral];H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (20%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (40%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (40%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H341 (20%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H413 (20%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 5 reports by companies.;There are 4 notifications provided by 4 of 5 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Sicherheitsdaten
- wgk
- WGK 3
- hs_code
- 2922498050
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
Verwenden3-(N-Methylpentylamino)propionic acid hydrochloride is an intermediate in the preparation of biphosphonate drugs used in the prevention and treatment of osteoporosis.
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