1,2-ジメチルプロピルアミン

1,2-Dimethylpropylamine

HCID 11731CAS 598-74-3

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)C(C)N
InChIKey: JOZZAIIGWFLONA-UHFFFAOYSA-N
分子式: C5H13N
平均分子量: 87.16 g/mol
単同位体質量: 87.10479942

名称と識別子

優先名称: 1,2-Dimethylpropylamine
IUPAC: 3-methylbutan-2-amine
現地名: 1,2-ジメチルプロピルアミン
英語名: 1,2-Dimethylpropylamine
分子式: C5H13N
分子量: 87.16

名称と別名

1,2-Dimethylpropylamine598-74-33-Methyl-2-butanamine2-Butanamine, 3-methyl-1,2-Dimethylpropanamineiso-AmylaminePROPYLAMINE, 1,2-DIMETHYL-3-Methyl-2-butylamineBRN 0635656EINECS 209-949-71P7J19TM9E3-Methyl-2-aminobutane

名称をさらに表示

1,2-ジメチルプロピルアミン3-メチル-2-ブタンアミン1,2-ジメチル-1-プロパンアミン3-メチルブタン-2-アミン3-アミノ-2-メチルブタン3-methyl-2-butanamin2-AMINO-3-METHYLBUTANE3-Amino-2-methylbutane3-Methylbutane-2-amine1,2 Dimethylpropylamme1,2-dimethyl-propylamin

2-04-00-00644 (Beilstein Handbook Reference)J71.080FDTXSID4022074RefChem:411794DTXCID902074(+-)-3-METHYL-2-BUTANAMINE(+-)-3-METHYL-2-BUTYLAMINE209-949-7

データベース識別子

CAS: 598-74-3
PubChem CID: 11731
DTXSID: DTXSID4022074
UNII: 1P7J19TM9E
EC Number: 209-949-7
Nikkaji: J71.080F

物性

構造計算による物性

XLogP: 1
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: 6
形式電荷: 0
複雑度: 32.9

実験および物理化学的性質

SpringerMaterials PropertiesOptical coefficient

物理化学的性質

融点: -50 °C · -50 °C (lit.)
沸点: 84 · 84-87 °C (lit.)
比重(密度): 0.757 g/mL · 0.757 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.4055(lit.)
闪点: 18 °F · −18 °F
貯蔵温度: 2 · 2-8°C, sealed storage, away from moisture and light
溶解性: Chloroform (Sparingly), Methanol (Slightly)
外見: Oil
酸解離定数(Pka): 10.8 · 10.80±0.10(Predicted)
色: Colourless
BRN: 635656 · 635656
Henry's Law Constant: 4 · 4.0×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey: JOZZAIIGWFLONA-UHFFFAOYSA-N
SMILES: CC(N)C(C)C
CAS データベース: 598 · 598-74-3(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Butanamine, 3-methyl-(598-74-3)
EPAの化学物質情報: 3 · 3-Methyl-2-butanamine (598-74-3)

化学的性質

化学的特性White powder solid

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, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: UI1100000
ridadr: UN 3286 3/PG 2
毒性: LD50 ipr-mus: 279 mg/kg JJPAAZ 17,475,67
hs_code: 2921199990
risk_code: 11-21/22-34
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
hazard_class: 3
packing_group: II

化学と産業

用途と製造

General Manufacturing Information2-Butanamine, 3-methyl-: ACTIVE

応用分野

使用1,2-Dimethylpropylamine was used as standard in separation of alkali and alkaline earth metal cations by capillary electrochromatography on monolithic octadecylsilica columns.