(S)-2-アミノ-1-ペンタノール

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

HCID 6951248CAS 22724-81-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCC[C@H](N)CO
InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N
分子式: C5H13NO
平均分子量: 103.16 g/mol
単同位体質量: 103.09971404

名称と識別子

優先名称: (2S)-2-aminopentan-1-ol
IUPAC: (2S)-2-aminopentan-1-ol
現地名: (S)-2-アミノ-1-ペンタノール
英語名: L-NORVALINOL
分子式: C5H13NO
分子量: 103.16

名称と別名

(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

名称をさらに表示

(2S)-2-アミノ-1-ペンタノール(S)-2-アミノ-1-ペンタノール(S)-(+)-2-アミノ-1-ペンタノール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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.1
極性表面積: 46.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 7
形式電荷: 0
複雑度: 39

物理化学的性質

融点: 44 · 44-48 °C (lit.)
沸点: 195.6 ℃ · 195.6℃
比重(密度): 0.915 · 0.915
闪点: 214 °F · 214 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(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

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

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

安全データ

wgk: 2
hs_code: 2922190090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 10 - Combustible liquids

化学と産業

応用分野 · 2 件

用途有機合成原料。

使用(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.