1H-Imidazole-1-propanamine (HCID 78736)

概要

3-(1H-imidazol-1-yl)propylamine is a member of imidazoles.

名称と識別子

優先名称: 1H-Imidazole-1-propanamine
IUPAC: 3-imidazol-1-ylpropan-1-amine
現地名: 1-(3-アミノプロピル)イミダゾール
英語名: N-(3-Aminopropyl)-imidazole
分子式: C6H11N3
分子量: 125.17

名称と別名

1-(3-Aminopropyl)imidazole5036-48-61H-Imidazole-1-propanamineQN37N4JU4VDTXSID70636851-[3-Aminopropyl]imidazoleRefChem:438371DTXCID6040822225-730-9N-(3-Aminopropyl)-imidazole3-(1H-Imidazol-1-Yl)Propan-1-AmineN-(3-Aminopropyl)imidazole

名称をさらに表示

1-(3-アミノプロピル)イミダゾール3-(1H-イミダゾール-1-イル)プロパン-1-アミン1H-イミダゾール-1-(1-プロパンアミン)3-(1-イミダゾリル)-1-プロパンアミン3-(1H-イミダゾール-1-イル)-1-プロパンアミン3-(1H-イミダゾール-1-イル)プロピルアミン1-(3-アミノプロピル)-1H-イミダゾールN-(3-アミノプロピル)-イミダゾールN-(3-アミノプロピル)イミダゾール3-(イミダゾール-1-イル)プロピルアミン1H-イミダゾール1-(プロパン-1-アミン)N3APILupragen APILUPRAGEN(R) API1-(3-AminopropyLN-(3-Aminopropyl)-imAminopropylimidazole3-Imidazo Propyl Amine

3-imidazol-1-ylpropan-1-amineMFCD000098191-(3-Aminopropyl)-1H-imidazole3-(1H-imidazol-1-yl)propylamine1-(3-aminopropyl) imidazole1-(3-Aminopropyl)-imidazole3-(imidazol-1-yl)propylamine3-IMIDAZOLYLPROPYLAMINE

データベース識別子

CAS: 5036-48-6
PubChem CID: 78736
DTXSID: DTXSID7063685
ChEMBL: CHEMBL3984871
ChEBI: CHEBI:194835
UNII: QN37N4JU4V
EC Number: 225-730-9
Nikkaji: J203.264C

物性

構造計算による物性

XLogP: -0.6
極性表面積: 43.8 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 9
形式電荷: 0
複雑度: 74.7

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: -68 °C · -68 °C
沸点: 296 °C · 296 °C
比重(密度): 1.049 g/mL · 1.049 g/mL at 25 °C (lit.)
蒸気圧: 0.12 Pa · 0.12Pa at 20℃
屈折率: 20 · n20/D 1.519(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Inert atmosphere,Room temperature
外見: 液体
酸解離定数(Pka): 9.08 · 9.08±0.10(Predicted)
色: 無色透明
PH: 11.3 · 11.3 (10g/l, H2O, 20℃)
爆発限界(explosive limit): 1 · 1.0-6.4%(V)
水溶解度: 混和性
InChI: 1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
InChIKey: KDHWOCLBMVSZPG-UHFFFAOYSA-N
SMILES: NCCCn1ccnc1
LogP: -0.57 at · -0.57 at 23℃
CAS データベース: 5036 · 5036-48-6(CAS DataBase Reference)
NISTの化学物質情報: 1 · 1-(3-Aminopropyl)imidazole(5036-48-6)
EPAの化学物質情報: 1 H-Imidazole-1-propanamine · 1H-Imidazole-1-propanamine (5036-48-6)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (82.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 223 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 5 件

Chemical: 1H-Imidazole-1-propanamine

1H-Imidazole-1-propanamine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Imidazole-1-propanamine 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: 18-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11509

1H-Imidazole-1-propanamine: 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 (82.1%)

安全データ

wgk: 1
tsca: TSCA listed
ridadr: UN 3267 8/PG 2
hs_code: 29332990
risk_code: 34-22
消防法: 危-4-3-III
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: III
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: 50,000 - <250,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

1H-Imidazole-1-propanamine: ACTIVE

応用分野 · 1 件

使用1-(3-Aminopropyl)imidazole is used in the synthesis of pH-sensitive polyaspartamide derivatives. It is also used in the preparation of pH-sensitive amphiphilic polymers with different degrees of octaceylamine (C18) substitution by graft reaction.