(R)-3,3-Dimethyl-2-aminobutane

HCID 5324845

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基本情報

CAS: 66228-31-7
標準SMILES: C[C@@H](N)C(C)(C)C
InChIKey: DXSUORGKJZADET-RXMQYKEDSA-N
分子式: C6H15N
平均分子量: 101.19 g/mol
単同位体質量: 101.12044948

名称と識別子

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

名称と別名

(R)-3,3-Dimethyl-2-aminobutaneRefChem:407245627-512-266228-31-7(2R)-3,3-dimethylbutan-2-amine(R)-3,3-dimethylbutan-2-amine(R)-(-)-3,3-Dimethyl-2-butylamine(R)-2-amino-3,3-dimethylbutaneMFCD00671643(R)-3,3-dimethyl-2-butylamineSCHEMBL355242SCHEMBL2426770

名称をさらに表示

(2R)-3,3-Dimethyl-2-butanamine2-Butanamine, 3,3-dimethyl-, (2R)-(R)-(+)-3,3-DIMETHYL 2-AMINOBUTANE(R)-(-)-3,3-Dimethyl-2-butylamine 97%(R)-(?)-3,3-Dimethyl-2-butylamine

DTXSID10415964(R)-1,2,2-trimethylpropylamine(R)-2,2,1-trimethylpropylamine(R)-3,3-dimethylbut-2-ylamine2-(R)-amino-3,3-dimethylbutaneSTR04709AKOS006341645AKOS015841164

データベース識別子

CAS: 66228-31-7
PubChem CID: 5324845
DTXSID: DTXSID10415964
EC Number: 627-512-2
Nikkaji: J60.669C

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: 51.7

物理化学的性質

融点: -4 °C · -4°C
沸点: 103 °C · 103 °C
比重(密度): 0.762 g/mL · 0.762 g/mL at 25 °C
屈折率: 1.4127 · 1.4127
闪点: 2 °C · 2°C
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 10.86 · 10.86±0.13(Predicted)
外見: liquid
BRN: 5237592 · 5237592
InChI: 1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m1/s1
InChIKey: DXSUORGKJZADET-RXMQYKEDSA-N
SMILES: C[C@@H](N)C(C)(C)C
CAS データベース: 66228 · 66228-31-7(CAS DataBase Reference)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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 43 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 2
ridadr: 2734
risk_code: 11-34-22-52/53
hazard_code: F,C
safety_code: 16-26-36/37/39-45-61
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