기본 정보
- 표준 SMILES
CN(C)c1ccncc1- InChIKey
VHYFNPMBLIVWCW-UHFFFAOYSA-N- 분자식
- C7H10N2
- 평균 분자량
- 122.17 g/mol
- 단동위원소 질량
- 122.08439833
이름 및 식별자
- 우선 이름
- 4-(Dimethylamino)pyridine
- IUPAC
- N,N-dimethylpyridin-4-amine
- 현지명
- 4-다이메틸아미노피리딘
- 영어명
- 4-Dimethylaminopyridine
- 분자식
- C7H10N2
- 분자량
- 122.17
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
1122-58-3- PubChem CID
- 14284
- DTXSID
DTXSID0044369- ChEMBL
CHEMBL3561645- ChEBI
CHEBI:182593- UNII
- PFP1R6P0S8
- EC Number
- 214-353-5
- Nikkaji
- J1.582.952D、J31.394G
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 16.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 75
실험 및 물리화학적 성질
Physical Description
Large Crystals
Colorless solid; [Merck Index] Beige crystalline solid; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 112 °C · 112 °C
- 끓는 점
- 162 °C · 162 °C
- 밀도
- 0.906 g/mL · 0.906 g/mL at 25 °C
- 증기압
- 0.169 hPa · 0.169 hPa at 20 °C
- 굴절률
- 20 · n20/D 1.431
- 인화점
- 110 °C · 110 °C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 50 mg/mL, · 메탄올: 50mg/mL, 투명
- 물리적 상태
- 세분화된
- 산도 계수 (pKa)
- pKa (20°): 9.7
- 색상
- 황백색에서 노란색까지
- 수소이온지수(pH)
- 11 · 11 (60g/l, H2O, 20℃)
- 냄새
- 특유의 냄새
- 수용성
- 76 g/L · 76g/L(25℃)
- Merck
- 14 · 14,3389
- BRN
- 110354 · 110354
- 안정성
- 안정적인. 산, 산화제와 호환되지 않습니다.
- InChI
- 1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3
- InChIKey
- VHYFNPMBLIVWCW-UHFFFAOYSA-N
- SMILES
- CN(C)c1ccncc1
- LogP
- 1.34 at · 1.34 at 25℃
- NIST
- 4 · 4-Pyridinamine, N,N-dimethyl-(1122-58-3)
- EPA
- 4 · 4-(Dimethylamino)pyridine (1122-58-3)
화학적 성질
White solid
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (6 of 522) of reports.
Danger
H301 (98.9%): Toxic if swallowed [Danger Acute toxicity, oral];H310 (70.3%): Fatal in contact with skin [Danger Acute toxicity, dermal];H314 (32.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (59.4%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (32.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H319 (49.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H331 (36%): Toxic if inhaled [Danger Acute toxicity, inhalation];H335 (37.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H370 (17%): Causes damage to organs [Danger Specific target organ toxicity, single exposure];H411 (36%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P308+P316, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 522 reports by companies from 53 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 6 of 522 reports by companies.;There are 52 notifications provided by 516 of 522 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: 4-Pyridinamine, N,N-dimethyl-
4-Pyridinamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pyridinamine, N,N-dimethyl- 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: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17217;Status: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25538
4-(Dimethylamino) pyridine: Does not have an individual approval but may be used under an appropriate group standard
CSL Reaction Information
CSL00204
2-Methoxyprop-2-yl Hydroperoxide + Dicyclohexylcarbodiimide + 4-(Dimethylamino)pyridine + Dichloromethane + Cesium hydroxide + Dimethylformamide
"We would like to draw attention to a potential hazard associated with a procedure reported from our laboratories, "2-Methoxyprop-2-yl Hydroperoxide: A Convenient Reagent for the Synthesis of Hydroperoxides and Peracids," P. H. Dussault and A. Sahli [J. Org. Chem., 57, 1009 (1992). DOI: 10.1021/jo00029a043]. The procedure, which calls for room-temperature concentration of the ozonolysis-derived reagent before redissolution in an appropriate solvent, has been performed uneventfully on numerous occasions. Recently, however, several concentrated samples were observed to undergo rapid exothermic decomposition. In one case, an open vial containing a 2-g sample emitted a pillar of flame several feet high. We are currently investigating alternative procedures, including concentration of the reagent at 0 C. Extreme caution, including the rigorous use of safety shields, is warranted. The reagent should not be stored, but should be generated only as needed. Dilute solutions of excess reagent can be safely quenched with dimethyl sulfide, triphenylphosphine, or aqueous sodium sulfite." (reprint of full text)
Flammable,Pyrophoric
Not Available
10.1021/cen-v071n032.p002
규제 정보
Regulatory Information
Chemical: 4-Pyridinamine, N,N-dimethyl-
4-Pyridinamine, N,N-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pyridinamine, N,N-dimethyl- 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: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17217;Status: Active Update: 19-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25538
4-(Dimethylamino) pyridine: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- US8400000
- ridadr
- UN 2811 6.1/PG 2
- 독성
- LD50 orally in Rabbit: 140 mg/kg LD50 dermal Rabbit 90 mg/kg
- HS 번호
- 29333999
- risk_code
- 25-34-24/25-36/37/38-27-36-24-20-61-40-23/24/25-67-66-21/22-11-36/37-22-19
- hazard_code
- T,C,T+,Xn,F
- safety_code
- 36/37/39-45-28A-26-28-36/37-53-27-22-16
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- KE-11197
- 위험 참고 사항
- Toxic/Corrosive
- 자연 발화 온도
- 420 °C
- Hazard Classifications
- Acute Tox. 2 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2Eye Dam. 1Skin Irrit. 2STOT SE 1
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
용도 및 제조
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
4-Pyridinamine, N,N-dimethyl-: ACTIVE
응용 분야
용도그것은 유기 합성에서 보편적 인 초 친핵 성의 아 실화 촉매 다.
용도DMAP은 염기성 때문에 무수물과의 에스테르 화, Baylis-Hillman 반응, 하이드로 실릴 화, 트리 틸 레이션, Steglich 재 배열, 베타 - 락탐의 Staudinger 합성 및 기타 여러 가지 반응에 유용한 친 핵성 촉매입니다. 키랄성 DMAP 유사체는 주로 2 급 알콜 및 에반스 보조 유형 아미드의 동 역학적 분석 실험에 사용된다.
용도4-Dimethylaminopyridine (Valaciclovir EP Impurity G; Valacyclovir USP Related Compound G) is a highly efficient catalyst for acylation reactions.
일반 설명Valacyclovir Related Compound G, also called as 4-(Dimethylamino)pyridine (DMAP) is an excellent catalyst for acylation of hindered alcohols and in chemical transformations. It is highly nucleophilic in nature.
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