CAS 22724-81-8 (2S)-2-aminopentan-1-ol (HCID 6951248)

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Basic information

CAS: 22724-81-8
Standard SMILES: CCC[C@H](N)CO
InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N
Molecular formula: C5H13NO
Average molar mass: 103.16 g/mol
Monoisotopic mass: 103.09971404

Names & identifiers

Preferred name: (2S)-2-aminopentan-1-ol
IUPAC: (2S)-2-aminopentan-1-ol
English name: L-NORVALINOL
Molecular formula: C5H13NO
Molecular weight: 103.16

Names & synonyms

(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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 39

Physicochemical properties

Melting point: 44 · 44-48 °C (lit.)
Boiling point: 195.6 ℃ · 195.6℃
Density: 0.915 · 0.915
Flash point: 214 °F · 214 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 12.88 · 12.88±0.10(Predicted)
Appearance: White to light yellow Solid
optical activity: 20 · [α]20/D +17°, c = 1 in chloroform
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
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
hs_code: 2922190090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements

Chemistry & industry

Applications · 1 item

Uses(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.