기본 정보
- CAS
59-26-7- 표준 SMILES
CCN(CC)C(=O)c1cccnc1- InChIKey
NCYVXEGFNDZQCU-UHFFFAOYSA-N- 분자식
- C10H14N2O
- 평균 분자량
- 178.23 g/mol
- 단동위원소 질량
- 178.11061307
개요
Nicethamid appears as clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth. (NTP, 1992)
이름 및 식별자
- 우선 이름
- N,N-Diethylnicotinamide
- IUPAC
- N,N-diethylpyridine-3-carboxamide
- 영어명
- N,N-Diethylnicotinamide
- 분자식
- C10H14N2O
- 분자량
- 178.23
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
59-26-7- PubChem CID
- 5497
- DTXSID
DTXSID9046524- ChEMBL
CHEMBL2104607- ChEBI
CHEBI:134814- UNII
- 368IVD6M32
- EC Number
- 200-418-5
- Nikkaji
- J5.179I
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 33.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 166
실험 및 물리화학적 성질
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)
물리화학적 성질
- 녹는점
- 23 °C · 23 °C (lit.)
- 끓는 점
- 296 · 296-300 °C (lit.)
- 밀도
- 1.06 g/mL · 1.06 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.524(lit.)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- 2 · 2-8°C
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 3.46 · pKa 3.46(H2O,t =20) (Uncertain)
- 물리적 상태
- 액체
- 색상
- 무색~황색으로 투명함
- 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
- EPA
- Nikethamide (59-26-7)
화학적 성질
clear colorless to yellow liquid
안전 및 규제
GHS 분류
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.
유해성 정보
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
안전 및 보호
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)
안전 데이터
- wgk
- 3
- rtecs
- QS4375000
- ridadr
- UN 2811 6.1/PG 3
- 독성
- LD50 i.p. in rats: 272 mg/kg (Goldenthal)
- HS 번호
- 29333999
- risk_code
- 25-36/37/38-23/24/25
- hazard_code
- T
- safety_code
- 26-45-36/37/39
- 포장분류
- III
- 위험 등급
- 6.1(b)
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
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.
용도 및 제조
응용 분야
개요A 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.
용도analeptic
일반 설명Clear light yellow viscous liquid or crystalline solid. Slightly bitter taste followed by a faint sensation of the warmth.
상·하류 제품 정보
상류 원료
하류 제품
공급사100 곳
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