N-イソプロピルヒドロキシルアミン

Isopropylhydroxylamine

HCID 78763CAS 5080-22-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(C)NO
InChIKey: ODHYIQOBTIWVRZ-UHFFFAOYSA-N
分子式: C3H9NO
平均分子量: 75.11 g/mol
単同位体質量: 75.06841391

名称と識別子

優先名称: Isopropylhydroxylamine
IUPAC: N-propan-2-ylhydroxylamine
現地名: N-イソプロピルヒドロキシルアミン
英語名: N-Isopropylhydroxylamine
分子式: C3H9NO
分子量: 75.11

名称と別名

N-isopropylhydroxylamine5080-22-82-Propanamine, N-hydroxy-ISOPROPYLHYDROXYLAMINEDTXSID60636943NT440V34TRefChem:830194DTXCID0040913225-791-1N-propan-2-ylhydroxylaminen-hydroxypropan-2-amineMFCD02874394

名称をさらに表示

N-イソプロピルヒドロキシルアミンN-ヒドロキシ-2-プロパンアミンN-(プロパン-2-イル)ヒドロキシルアミンIPHAN-Isopropylhydroxylan-hydroxy-2-propanaminN-IsopropylhydroxyamineN-IsopropylhidroxylaMine

N-(propan-2-yl)hydroxylamineisopropyl hydroxylamine2-HydroxylaminopropaneN-HydroxyisopropylamineUNII-3NT440V34TN-HYDROXY-2-PROPANAMINEEINECS 225-791-1N-Isopropylhydroxylamine #

データベース識別子

CAS: 5080-22-8
PubChem CID: 78763
DTXSID: DTXSID6063694
ChEMBL: CHEMBL140282
UNII: 3NT440V34T
EC Number: 225-791-1
Nikkaji: J203.284H

物性

構造計算による物性

XLogP: 0.1
極性表面積: 32.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 5
形式電荷: 0
複雑度: 20.9

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: 159 · 159-160 °C (dec.)
沸点: 104.9 · 104.9±23.0 °C(Predicted)
比重(密度): 0.886 · 0.886±0.06 g/cm3(Predicted)
蒸気圧: 68 Pa · 68Pa at 25℃
酸解離定数(Pka): 14.14 · 14.14±0.50(Predicted)
水溶解度: 199 g/L · 199g/L at 25℃
InChI: InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3
InChIKey: ODHYIQOBTIWVRZ-UHFFFAOYSA-N
SMILES: CC(NO)C
LogP: -0.574 at · -0.574 at 23℃
EPAの化学物質情報: 2 · 2-Propanamine, N-hydroxy- (5080-22-8)

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 2.3% (3 of 129) of reports.

Warning

H312 (28.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 129 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

2-Propanamine, N-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, N-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

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

Status: Active Update: 06-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12650

2-Propanamine, N-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (28.7%)