基本情報
- CAS
59-26-7- 標準SMILES
CCN(CC)C(=O)c1cccnc1- InChIKey
NCYVXEGFNDZQCU-UHFFFAOYSA-N- 分子式
- C10H14N2O
- 平均分子量
- 178.23 g/mol
- 単同位体質量
- 178.11061307
概要
Nicethamid appears as clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth. (NTP, 1992)
名称と識別子
- 優先名称
- N,N-Diethylnicotinamide
- IUPAC
- N,N-diethylpyridine-3-carboxamide
- 現地名
- N,N-ジエチルニコチンアミド
- 英語名
- N,N-Diethylnicotinamide
- 分子式
- C10H14N2O
- 分子量
- 178.23
名称と別名
名称をさらに表示
データベース識別子
- CAS
59-26-7- PubChem CID
- 5497
- DTXSID
DTXSID9046524- ChEMBL
CHEMBL2104607- ChEBI
CHEBI:134814- UNII
- 368IVD6M32
- EC Number
- 200-418-5
- Nikkaji
- J5.179I
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 33.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 166
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Stimulants
Pharmaceuticals -> Used in Switzerland
Ionization Efficiency
Positive
4.46
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
物理化学的性質
- 融点
- 23 °C · 23 °C (lit.)
- 沸点
- 296 · 296-300 °C (lit.)
- 比重(密度)
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.524(lit.)
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- 酸解離定数(Pka)
- 3.46 · pKa 3.46(H2O,t =20) (Uncertain)
- 外見
- 液体
- 色
- 無色透明~黄色
- Merck
- 14 · 14,6543
- BRN
- 5743 · 5743
- InChI
- InChI=1S/C10H14N2O/c1-3-12(4-2)10(13)9-6-5-7-11-8-9/h5-8H,3-4H2,1-2H3
- InChIKey
- NCYVXEGFNDZQCU-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1C(N(CC)CC)=O
- CAS データベース
- 59 · 59-26-7(CAS DataBase Reference)
- EPAの化学物質情報
- Nikethamide (59-26-7)
化学的性質
化学的特性clear colorless to yellow liquid
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 85 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 02-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/19676
3-Pyridinecarboxamide, N,N-diethyl-: Does not have an individual approval but may be used under an appropriate group standard
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
安全データ
- wgk
- 3
- rtecs
- QS4375000
- ridadr
- UN 2811 6.1/PG 3
- 毒性
- LD50 i.p. in rats: 272 mg/kg (Goldenthal)
- hs_code
- 29333999
- risk_code
- 25-36/37/38-23/24/25
- 化審法
- (5)-739
- hazard_code
- T
- safety_code
- 26-45-36/37/39
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological Classification
A loosely defined group of drugs that tend to increase behavioral alertness, agitation, or excitation. They work by a variety of mechanisms, but usually not by direct excitation of neurons. The many drugs that have such actions as side effects to their main therapeutic use are not included here.
Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.
用途と製造
応用分野
説明A further Corydalis alkaloid, coramine has been obtained from C. pseudoadunca M. Pop. It forms colourless needles from EtOH and is optically active with a specific rotation of [α]D - 391 ° (c 0.2, MeOH). Both the hydrochloride, m.p. 216-9°C and the hydrobromide, m.p. 223-6°C have been described.
使用analeptic
一般的な説明Clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth.
上流・下流製品情報
上流原料
下流製品
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