1-ジメチルアミノ-2-プロパノール

Dimepranol

HCID 37511CAS 108-16-7

部分構造検索類似構造を探す

基本情報

標準SMILES: CC(O)CN(C)C
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
分子式: C5H13NO
平均分子量: 103.16 g/mol
単同位体質量: 103.09971404

名称と識別子

優先名称: Dimepranol
IUPAC: 1-(dimethylamino)propan-2-ol
現地名: 1-ジメチルアミノ-2-プロパノール
英語名: 1-Dimethylamino-2-propanol
分子式: C5H13NO
分子量: 103.16

名称と別名

108-16-7Dimepranol1-(Dimethylamino)propan-2-ol1-(Dimethylamino)-2-propanolDimethylisopropanolamineN,N-DimethylisopropanolamineDimethyl(2-hydroxypropyl)amine2-PROPANOL, 1-(DIMETHYLAMINO)-Dimepranol [INN]N,N-Dimethyl-2-hydroxypropylamineDimepranolumN,N-(Dimethylamino)-2-propanol

名称をさらに表示

1-ジメチルアミノ-2-プロパノール2-(ジメチルアミノ)-1-メチルエタノール1-(ジメチルアミノ)-2-プロパノールN,N-ジメチル-2-ヒドロキシプロパン-1-アミン3-(ジメチルアミノ)-2-プロパノール1-(ジメチルアミノ)プロパン-2-オールジメチル(2-ヒドロキシプロピル)アミンN,N-ジメチルイソプロパノールアミン1‐ジメチルアミノ‐2‐プロパノール1-ジメチルアミノ-2-プロパノール溶液INNDIMETHYLAMINO-2-PROPANOL1-Dimethylamino-2-propanol,N,N-DimethylisopropanolamineDMA 2P1-DimethyLBisoMer AMine D 7001-Dimethylamino-2-pr

1,1-Dimethylaminopropanol-22-Propanol, 1,1-(dimethylamino)-DTXSID5031210Dimepranolum [INN-Latin]NSC 31632-(Dimethylamino)-1-methylethanolEINECS 203-556-4n,n-dimethylamino-2-propanol

データベース識別子

CAS: 108-16-7
PubChem CID: 37511
DTXSID: DTXSID5031210
ChEMBL: CHEMBL3186209
UNII: OX17195H4T
EC Number: 203-556-4
Nikkaji: J112.300I

物性

構造計算による物性

XLogP: 0
極性表面積: 23.5 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: 2
重原子数: 7
形式電荷: 0
複雑度: 45.3

実験および物理化学的性質

Chemical ClassesFlammable agents - 3rd degree

DrugsPharmaceuticals

Physical DescriptionLiquid

物理化学的性質

融点: -85 °C · -85 °C
沸点: 96 °C · 96 °C
比重(密度): 0.913 g/mL · 0.913 g/mL at 25 °C
蒸気密度: 3.6 · 3.6 (vs air)
蒸気圧: 8 mm · 8 mm Hg ( 20 °C)
屈折率: 20 · n20/D 1.42
闪点: 96 °F · 96 °F
貯蔵温度: 30 °C · Store below +30°C.
溶解性: Methanol (Soluble)
外見: 液体
酸解離定数(Pka): 14.95 · 14.95±0.20(Predicted)
色: 無色透明～黄色
PH: 11 · 11 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 2.7 · 2.7-11.1%(V)
水溶解度: 混和性
BRN: 1209244 · 1209244
安定性: 安定。可燃性。強力な酸化剤、アミン、酸とは相容れない。
化粧品成分の機能: バッファリング
InChI: 1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
InChIKey: NCXUNZWLEYGQAH-UHFFFAOYSA-N
SMILES: CC(O)CN(C)C
LogP: -0.12 at · -0.12 at 23℃
CAS データベース: 108 · 108-16-7(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Propanol, 1-(dimethylamino)-(108-16-7)
EPAの化学物質情報: 2 · 2-Propanol, 1-(dimethylamino)- (108-16-7)

化学的性質

化学的特性light yellow liquid

安全と法規制

GHS分類

GHS Classification · 6 件

Danger

H226: Flammable liquid and vapor [Warning Flammable liquids]

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)

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: 2-Propanol, 1-(dimethylamino)-

2-Propanol, 1-(dimethylamino)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanol, 1-(dimethylamino)- 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: 12-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/12061

1-(Dimethylamino)-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 4 件

Flam. Liq. 3 (100%)

Flammable liquid - category 3

Flammable agents - 3rd degree

Flam. Liq. 3

安全データ

F: 10-34
wgk: 1
tsca: TSCA listed
rtecs: UB3150000
ridadr: UN 2734 8/PG 2
毒性: LD50 orally in Rabbit: 1360 mg/kg
hs_code: 29221980
risk_code: 10-22-34
化審法: (2)-328, (2)-353
消防法: 危-4-2-III
hazard_code: C
safety_code: 26-36/37/39-45-36-23
hazard_class: 8
packing_group: II
自然発火温度: 225 °C
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1B
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

UsesUse (kg; approx.) in Germany (2009): >50

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

Industry UsesIntermediate

General Manufacturing Information · 2 件

All Other Basic Organic Chemical Manufacturing

2-Propanol, 1-(dimethylamino)-: ACTIVE

応用分野 · 2 件

使用1-Dimethylamino-2-propanol is one of the compounds used to identify the illegal manufacture of methadone.cv

一般的な説明1-Dimethylamino-2-propanol (1DMA2P, DMAPH), a tertiary amine, is a dimethylamino-alcohol having high boiling point. It is a potent protector against mechlorethamine cytotoxicity and inhibitor of choline uptake. Kinetics of homogeneous reaction of carbon dioxide (CO2) with 1-dimethylamino-2-propanol in water has been investigated using stopped-flow technique.