1,3-Diamino-2-propanol (HCID 61157)

名称と識別子

優先名称: 1,3-Diamino-2-propanol
IUPAC: 1,3-diaminopropan-2-ol
現地名: 1,3-ジアミノ-2-プロパノール
英語名: 1,3-Diamino-2-propanol
分子式: C3H10N2O
分子量: 90.12

名称と別名

1,3-Diamino-2-propanol616-29-51,3-Diamino-2-hydroxypropane2-PROPANOL, 1,3-DIAMINO-Diaminoisopropanol2-Hydroxy-1,3-diaminopropane2-Hydroxy-1,3-propanediamineNSC-6070DTXSID3060663L59259H635RefChem:72572DTXCID2043080

名称をさらに表示

1,3-ジアミノ-2-プロパノール1,3-ジアミノプロパン-2-オールグリセロールα,γ-ジアミン1,3-ジアミノ-2-ヒドロキシプロパン2-ヒドロキシ-1,3-プロパンジアミン2-ヒドロキシトリメチレンジアミン1，3-ジアミノ-2-プロパノル1，3ジアミノ2プロパノ-ル2-ヒドロキシ-1,3-ジアミノプロパン1,3‐ジアミノ‐2‐プロパノールGlycerol-α,γ-diamine1,3-diamino-2-propano2-Hydroxypropylenediamine1,3-Diamino-2-propanol>1,3-DIAMINO-2-HYDROXYPROPAN1,3-Diamino-2-propanol ,97%

210-474-21,3-Diaminopropan-2-olMFCD00008142C3H10N2OUNII-L59259H635EINECS 210-474-2NSC 6070AI3-15325

データベース識別子

CAS: 616-29-5
PubChem CID: 61157
DTXSID: DTXSID3060663
ChEMBL: CHEMBL177097
UNII: L59259H635
EC Number: 210-474-2
Nikkaji: J1.660H

物性

構造計算による物性

XLogP: -2.3
極性表面積: 72.3 Å²
水素結合供与体数: 3
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 6
形式電荷: 0
複雑度: 28

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

融点: 40 · 40-44 °C(lit.)
沸点: 235 °C · 235°C
比重(密度): 1.0352 · 1.0352 (rough estimate)
屈折率: 1.461 · 1.4610 (estimate)
闪点: 230 °F · >230 °F
貯蔵温度: 2 · 2-8°C
溶解性: 1 g/10mL · 水：可溶1g/10mL
外見: 低融点固体
酸解離定数(Pka): 9.69 · 9.69, 7.93(at 20℃)
色: 白から黄色
水溶解度: 水に非常に溶けやすい。
BRN: 741859 · 741859
InChI: InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
InChIKey: UYBWIEGTWASWSR-UHFFFAOYSA-N
SMILES: C(N)C(O)CN
CAS データベース: 616 · 616-29-5(CAS DataBase Reference)
EPAの化学物質情報: 2 · 2-Propanol, 1,3-diamino- (616-29-5)

化学的性質

化学的特性white to yellowish low melting solid

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 3.2% (5 of 158) of reports.

Danger

H302 (67.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 158 reports by companies from 10 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

Chemical: 2-Propanol, 1,3-diamino-

2-Propanol, 1,3-diamino- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1,3-diamino- 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)

Status: Active Update: 16-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/7476

Hazard Classes and CategoriesAcute Tox. 4 (67.7%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: 3259
hs_code: 29221990
risk_code: 36/37/38
化審法: (2)-315
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: 8
packing_group: III
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

U.S. Production2023: 198,634 lb

Consumer UsesNot Known or Reasonably Ascertainable

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

2-Propanol, 1,3-diamino-: ACTIVE

応用分野 · 2 件

説明1,3-Diamino-2-propanol (DAP), also known as 2-hydroxy-1,3-diaminopropane, is a white to yellowish low melting solid. Keep in a cool, well-ventilated place. Avoid prolonged storage periods. Store under inert gas, in a tightly sealed container and at ambient temperatures. 1,3-Diamino-2-propanol is incompatible with acids and strong oxidizing agents and should not be stored or handled in their vicinity.

使用1,3-Diamino-2-propanol is a versatile bidentate diamine ligand which is used in the synthesis of a variety of organometallic compounds.It is a precursor to synthesize the fluorogenic dsDNA binder, N1,N3-bis(4-amidinophenyl)propane-1,3-diamine (BAPPA).It can also be used as a branching unit in the synthesis of peptide dendrimers.

調製方法

純化方法Dissolve it in an equal amount of water, shake it with charcoal and distil it at 68o/0.1mm. The distillate solidifies. It is too viscous to be distilled through a packed column. [Beilstein 4 IV 1694.]