1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (1:1)

HCID 112482CAS 62314-25-4

基本情報

標準SMILES: CC(O)C[N+](C)(C)C.O=C[O-]
InChIKey: OTOLFQXGRCJFQN-UHFFFAOYSA-M
分子式: C7H17NO3
平均分子量: 163.21 g/mol
単同位体質量: 163.1208434

名称と識別子

優先名称: 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (1:1)
IUPAC: 2-hydroxypropyl(trimethyl)azanium formate
英語名: 2-Hydroxypropyltrimethylammoniumformate
分子式: C7H17NO3
分子量: 163.21

名称と別名

62314-25-4EINECS 263-503-61-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (1:1)DTXSID50886477RefChem:77054DTXCID401025801(2-Hydroxypropyl)trimethylammonium formate2-HYDROXYPROPYLTRIMETHYLAMMONIUMFORMATE2-hydroxy-n,n,n-trimethylpropan-1-aminium formate2-hydroxypropyl(trimethyl)azanium;formate1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (salt)2-hydroxypropyl(trimethyl)azanium,formate

名称をさらに表示

TMR-2BABCO TMR21-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate2-hydroxy-n,n,n-trimethyl-1-propanaminiuformate(salt)1-Propanaminium,2-hydroxy-N,N,N-trimethyl-,formate(salt)2-Hydroxypropyl Trimethylammonium Formate In Diehtylene Glycol

SCHEMBL558052OTOLFQXGRCJFQN-UHFFFAOYSA-MNS00088319

データベース識別子

CAS: 62314-25-4
PubChem CID: 112482
DTXSID: DTXSID50886477
EC Number: 263-503-6

物性

構造計算による物性

極性表面積: 60.4 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 11
形式電荷: 0
複雑度: 72.9

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

沸点: 164 ℃[at · 164℃[at 101 325 Pa]
比重(密度): 1.079 · 1.079[at 20℃]
蒸気圧: 1.333 hPa · 1.333hPa at 21.1℃
水溶解度: 1 μg/L · 1μg/L at 25℃
LogP: 0.01 at · 0.01 at 22.5℃
EPAの化学物質情報: 1 · 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (salt) (62314-25-4)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (15.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 194 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (1:1) 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)

REACH registered substance: (2-hydroxypropyl)trimethylammonium formate (EC: 263-503-6)

1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (salt): 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 (15.5%)

安全データ

tsca: TSCA listed
化審法: 優先評価化学物質

化学と産業

用途と製造

U.S. Production2023: 250,000 - <550,000 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesPropellants, non-motive (blowing agents)

General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (1:1): ACTIVE

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