CAS 13250-12-9 (R)-sec-butylamine (HCID 2724537)

名称と識別子

優先名称: (R)-sec-butylamine
IUPAC: (2R)-butan-2-amine
現地名: (R)-(-)-sec-ブチルアミン
英語名: (R)-(-)-2-Aminobutane
分子式: C4H11N
分子量: 73.14

名称と別名

(R)-sec-ButylamineRefChem:40744513250-12-9(R)-(-)-2-Aminobutane(2R)-butan-2-amine(R)-(-)-sec-Butylamine(R)-butan-2-amine2-Butanamine, (R)-2-Butanamine, (2R)-2-Butanamine, (2R)- (9CI)MFCD00064416(1R)-1-methylpropylamine

名称をさらに表示

(R)-(-)-sec-ブチルアミン(R)-(-)-2-アミノブタン(R)-(−)-SEC-ブチルアミン[(R)-sec-ブチル]アミン(R)-2-ブタンアミン[R,(-)]-sec-ブチルアミン(R)-1-メチルプロピルアミン(2R)-ブタン-2-アミン(R)-sec-ブチルアミン[(R)-1-メチルプロピル]アミン(2R)-2-ブタンアミン(R)-ブタン-2-アミン(R)-2-アミノブタン(R)-N-sec-Butylamine(R)-(-)-2-Aminobutan(2R)-(-)-2-Aminobutane(R)-1-MethylpropylamineR(-)-SEC-BUTYLAMINE 99+%(R)-(-)-2-Aminobutane,98%

(r)-(-)-2-butylamine29HC5ICB6K(R)-2-Butanamine(2r)-2-butanamine(1R)-(-)-1-MethylpropylamineUNII-29HC5ICB6KEINECS 236-232-6(r)-(-)-but-2-ylamine

データベース識別子

CAS: 13250-12-9
PubChem CID: 2724537
DTXSID: DTXSID801367398
UNII: 29HC5ICB6K
EC Number: 236-232-6
Nikkaji: J63.100K

物性

構造計算による物性

XLogP: 0.6
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 5
形式電荷: 0
複雑度: 19

物理化学的性質

融点: -105 °C · -105°C
比旋光度: -7.5 · -7.5 º (c=neat 19 ºC)
沸点: 63 °C · 63 °C(lit.)
比重(密度): 0.72 g/mL · 0.72 g/mL at 25 °C(lit.)
屈折率: 20 · n20/D 1.393(lit.)
闪点: -19 °C · -19°C
貯蔵温度: Flammables area
酸解離定数(Pka): 10.74 · 10.74±0.10(Predicted)
外見: clear liquid
色: Colorless to Almost colorless
水溶解度: 10 mg/L · > 10mg/L
Merck: 14 · 14,1544
BRN: 1718760 · 1718760
InChI: 1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m1/s1
InChIKey: BHRZNVHARXXAHW-SCSAIBSYSA-N
SMILES: CC[C@@H](C)N
CAS データベース: 13250 · 13250-12-9(CAS DataBase Reference)

化学的性質

化学的特性Colorless to light yellow liqui

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]；H302: Harmful if swallowed [Warning Acute toxicity, oral]；H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332: Harmful if inhaled [Warning Acute toxicity, inhalation]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Danger

危険有害性情報

Hazard Classes and Categories · 3 件

Flam. Liq. 2 (100%)；Acute Tox. 4 (95.7%)；Skin Corr. 1A (100%)；Acute Tox. 4 (100%)；Aquatic Acute 1 (100%)

Flammable liquid - category 2；Acute toxicity - category 4；Acute toxicity - category 4；Skin corrosion - category 1A；Hazardous to the aquatic environment (acute) - category 1

Flam. Liq. 2；Acute Tox. 4 *；Acute Tox. 4 *；Skin Corr. 1A；Aquatic Acute 1

安全データ

F: 10-23
wgk: 3
ridadr: UN 2733 3/PG 2
hs_code: 29211999
risk_code: 11-34-50-35-20/22
化審法: (2)-132
消防法: 危-4-1-II
hazard_code: F,C,N,F+
safety_code: 16-26-36/37/39-45-9-61-28A-28
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Flam. Liq. 2Skin Corr. 1A
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用(R)-(-)-2-Aminobutane is a chiral amine plays an important role in pharmaceutical chemistry and in organic synthesis as chiral auxiliary, which is used to determine the enantiomeric excess (ee).

調製方法 · 1 件

純化方法Dry it over solid NaOH overnight and fractionate it through a short helices packed column. The L-hydrogen tartrate salt has m 139-140o (from H2O), the 1H2O has m 96o []D +18.1o (c 11, H2O), the hydrochloride has m 152o [ ] 21 -1.1o (c 13, H2O) and the benzoyl derivative crystallises from EtOH as needles with m 97o, [] 21 -34.9o (c 11, H2O). [Bruck et al. J Chem Soc 921 1956,Kjaer & Hansen Acta Chem Scand 11 898 1957.] [Beilstein 4 H 161, 4 I 372, 4 III 308, 4 IV 617.] The S -(+)-enantiomer has has same properties except for the optical rotation which has the opposite sign.