(2S)-2-aminopentan-1-ol

HCID 6951248CAS 22724-81-8

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Grundinformationen

Standard-SMILES: CCC[C@H](N)CO
InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N
Summenformel: C5H13NO
Durchschnittliche Molmasse: 103,16 g/mol
Monoisotopische Masse: 103,09971404

Namen und Bezeichner

Bevorzugter Name: (2S)-2-aminopentan-1-ol
IUPAC: (2S)-2-aminopentan-1-ol
Englischer Name: L-NORVALINOL
Summenformel: C5H13NO
Molmasse: 103.16

Namen und Synonyme

(2S)-2-aminopentan-1-olRefChem:398387625-468-9(S)-2-Aminopentan-1-ol22724-81-8L-Norvalinol(S)-(+)-2-Amino-1-pentanol(S)-2-amino-1-pentanolMFCD026832291-Pentanol, 2-amino-, (2S)-SCHEMBL1003546DTXSID90426235

Weitere Namen anzeigen

H-NVA-OLL-NORVALINOL USP/EP/BP(2S)-2-Amino-1-pentanol(2S)-2-AMino-1-pentanol HCl(S)-(+)-2-Amino-1-pentanol 97%

ULAXUFGARZZKTK-YFKPBYRVSA-NCS-M1841AKOS016843136(S)-(+)-2-Amino-1-pentanol, 97%DS-16214SY017944A10468EN300-216034

Datenbank-Bezeichner

CAS: 22724-81-8
PubChem CID: 6951248
DTXSID: DTXSID90426235
EC Number: 625-468-9
Nikkaji: J231.906C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 46,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 39

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-48 °C (lit.)
Siedepunkt: 195.6 ℃ · 195.6℃
Dichte: 0.915 · 0.915
Flammpunkt: 214 °F · 214 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 12.88 · 12.88±0.10(Predicted)
InChI: 1S/C5H13NO/c1-2-3-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N
SMILES: CCC[C@H](N)CO

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)；Eye Irrit. 2 (97.6%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 2
hs_code: 2922190090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(S)-(+)-2-Amino-1-pentanol can be used:As a model compound in the study of estimation of dilution enthalpies of (R)-()-2-amino-1-pentanol in DMSO+H2O mixtures using isothermal titration calorimeter.As a substrate to prepare tricyclic heterocyclic compounds as possible antagonists of corticotropin-releasing factor-1.As an intermediate in one of the key synthetic steps for the preparation of an antiviral agent telaprevir.