CAS 22526-47-2 (2S)-3,3-dimethylbutan-2-amine (HCID 7004913)

名称と識別子

優先名称: (2S)-3,3-dimethylbutan-2-amine
IUPAC: (2S)-3,3-dimethylbutan-2-amine
英語名: (S)-(+)-3,3-Dimethyl-2-butylamine
分子式: C6H15N
分子量: 101.19

名称と別名

(2S)-3,3-dimethylbutan-2-amineRefChem:398494(+)-2-Amino-3,3-dimethylbutane627-009-822526-47-2(S)-(+)-3,3-Dimethyl-2-butylamine(S)-3,3-dimethylbutan-2-amine(S)-3,3-Dimethyl-2-butylamine(S)-3,3-Dimethyl-2-aminobutaneMFCD006716442-Butanamine, 3,3-dimethyl-, (2S)-DTXSID10426479

名称をさらに表示

(S)-(-)-3,3-DIMETHYL 2-AMINOBUTANE(S)-(+)-3,3-DiMethyl-2-butylaMine 97%(S)-(+)-3,3-Dimethyl-2-butylamine, ChiPros

AKOS015841165D83289SCHEMBL353937SCHEMBL2430204SCHEMBL15575846(S)-1,2,2-trimethylpropylamine(s)-2-amino-3,3-dimethylbutane(1S)-1,2,2-trimethylpropylamine

データベース識別子

CAS: 22526-47-2
PubChem CID: 7004913
DTXSID: DTXSID10426479
EC Number: 627-009-8
Nikkaji: J60.668E

物性

構造計算による物性

XLogP: 1.4
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: 7
形式電荷: 0
複雑度: 51

物理化学的性質

融点: -4 °C · -4°C
沸点: 103 °C · 103°C
比重(密度): 0.743 g/mL · 0.743 g/mL at 25 °C
屈折率: 1.4126 · 1.4126
闪点: 2 °C · 2°C
貯蔵温度: 2 · 2-8°C
溶解性: Chloroform (Slightly), DMSO (Slightly), Methanol
外見: Oil
酸解離定数(Pka): 10.86 · 10.86±0.13(Predicted)
色: Clear Colourless
BRN: 4652328 · 4652328
InChI: 1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
InChIKey: DXSUORGKJZADET-YFKPBYRVSA-N
SMILES: C[C@H](N)C(C)(C)C
CAS データベース: 22526 · 22526-47-2(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H412 (90.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

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

Aggregated GHS information provided per 44 reports by companies from 2 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 CategoriesFlam. Liq. 2 (100%)；Acute Tox. 4 (90.9%)；Skin Corr. 1B (100%)；Aquatic Chronic 3 (90.9%)

安全データ

wgk: 2
ridadr: 2734
risk_code: 11-34-22-52/53
hazard_code: F,C
safety_code: 26-36/37/39-45-16-61
hazard_class: 3
packing_group: II
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野

使用(S)-(+)-3,3-Dimethyl-2-butylamine may be used in the preparation of:methyl 3′-{[(2S-3,3-dimethylbutan-2-yl]carbamoyl]-2,2′-binaphthalene-3-carboxylateN,N-(S)-bis(diphenylphosphanyl)-3,3-dimethyl-2-butylamine