Neopentylamine (HCID 79882)

名称と識別子

優先名称: Neopentylamine
IUPAC: 2,2-dimethylpropan-1-amine
現地名: ネオペンチルアミン
英語名: Neopentylamine
分子式: C5H13N
分子量: 87.16

名称と別名

Neopentylamine5813-64-92,2-Dimethyl-1-propylamineNSC-165660988C7435J3DTXSID4022232RefChem:832337DTXCID302232227-378-12,2-dimethylpropan-1-amine2,2-Dimethylpropylamine1-Propanamine, 2,2-dimethyl-

名称をさらに表示

ネオペンチルアミン2,2-ジメチル-1-プロパンアミン2,2-ジメチルプロパン-1-アミン2,2-ジメチルプロピルアミン1-アミノ-2,2-ジメチルプロパンPIVALYLAMINENeopentylamine>NEOPENTYLAMINE HCLRARECHEM AL BW 0181NeopentylaMine, 97.0%(GC&T

MFCD000081341-Amino-2,2-dimethylpropaneneo-C5H11NH22,2-dimethyl-propylaminepropane, 1-amino-2,2-dimethyl-2,2-Dimethyl-1-propanamineEINECS 227-378-1NSC 165660

データベース識別子

CAS: 5813-64-9
PubChem CID: 79882
DTXSID: DTXSID4022232
UNII: 988C7435J3
EC Number: 227-378-1
Nikkaji: J150.003A

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: 33

物理化学的性質

融点: -70 °C · -70°C (estimate)
沸点: 83 °C · 83°C
比重(密度): 0.745 · 0.745
屈折率: 1.403 · 1.403
闪点: -13 °C · -13°C
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
酸解離定数(Pka): 10.15 · 10.15(at 25℃)
外見: clear liquid
色: Colorless to Almost colorless
InChI: InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3
InChIKey: XDIAMRVROCPPBK-UHFFFAOYSA-N
SMILES: C(N)C(C)(C)C
CAS データベース: 5813 · 5813-64-9(CAS DataBase Reference)
NISTの化学物質情報: Neopentylamine(5813-64-9)

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P210, P233, P240, P241, P242, P243, P260, P264, P270, 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.；There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).；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 (97.8%)；Acute Tox. 4 (91.3%)；Skin Corr. 1B (97.8%)

安全データ

wgk: WGK 3
ridadr: 1106
hs_code: 29211990
risk_code: 11-20/22-35-22
化審法: (2)-133
消防法: 危-4-1-II
hazard_code: Xn
safety_code: 3-16-23-26-36/37/39
hazard_class: 3/8
packing_group: II
Hazard Classifications: Acute Tox. 4 OralEye 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 · 1 件

使用Neopentylamine is an organic amine compound that can be used in alkylation and alkenylation reactions. It is also used in the study of reactions of low-energy isobutylamine and neopentylamine molecular ions, where the main reaction that can transfer the neopentylamine ion is the loss of the C4H7 radical.