4-(N-METHYL-N-PROPENYLAMINO)-1-(3-PYRIDYL)-1-부탄올,준비키트
4-[methyl-[(E)-prop-1-enyl]amino]-1-pyridin-3-ylbutan-1-ol
기본 정보
- CAS
870193-42-3- 표준 SMILES
C/C=C/N(C)CCCC(O)c1cccnc1- InChIKey
FXHQYUYOAGYBTE-YCRREMRBSA-N- 분자식
- C13H20N2O
- 평균 분자량
- 220.31 g/mol
- 단동위원소 질량
- 220.15756326
이름 및 식별자
- 우선 이름
- 4-[methyl-[(E)-prop-1-enyl]amino]-1-pyridin-3-ylbutan-1-ol
- IUPAC
- 4-[methyl-[(E)-prop-1-enyl]amino]-1-pyridin-3-ylbutan-1-ol
- 현지명
- 4-(N-METHYL-N-PROPENYLAMINO)-1-(3-PYRIDYL)-1-부탄올,준비키트
- 영어명
- 4-(N-METHYL-N-PROPENYLAMINO)-1-(3-PYRIDYL)-1-BUTANOL, PREPARATION KIT
- 분자식
- C13H20N2O
- 분자량
- 220.31
이름 및 동의어
870193-42-34-[methyl-[(E)-prop-1-enyl]amino]-1-pyridin-3-ylbutan-1-ol4-(N-Methyl-N-propenylamino)-1-(3-pyridyl)-1-butanol Preparation KitAC1O1RAA4-(N-Methyl-N-propenylamino)-1-(3-pyridyl)-1-butanol - (preparation kit)SCHEMBL12894037|A-[3-(Methyl-1-propenylamino)propyl]-3-pyridinemethanolDTXSID80422120|A-[3-(Methyl-1-propen-1-ylamino)propyl]-3-pyridinemethanol4-(N-Methyl-N-propenylamino)-1-(3-pyridyl)-1-butanol(Preparation Kit)4-{Methyl[(1E)-prop-1-en-1-yl]amino}-1-(pyridin-3-yl)butan-1-ol4-(N-METHYL-N-PROPENYLAMINO)-1-(3-PYRIDYL)-1-부탄올,준비키트
이름 더 보기
α-[3-(Methyl-1-propenylaMino)propyl]-3-pyridineMethanolα-[3-(Methyl-1-propen-1-ylaMino)propyl]-3-pyridineMethanol3-Pyridinemethanol, α-[3-(methyl-1-propen-1-ylamino)propyl]-4-(N-METHYL-N-PROPENYLAMINO)-1-(3-PYRIDYL)-1-BUTANOL, PREPARATION KIT
데이터베이스 식별자
- CAS
870193-42-3- PubChem CID
- 6153829
- DTXSID
DTXSID80422120
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 36.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 206
물리화학적 성질
- 끓는 점
- 376.829 · 376.829±37.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.031 · 1.031±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 13.634 · 13.634±0.20(predicted)
- 물리적 상태
- 포말 모양
- 색상
- 하얀색
화학적 성질
4-(N-METHYL-N-PROPENYLAMINO)-1-(3-PYRIDYL)-1-BUTANOL, PREPARATION KIT is White Foam
화학 및 산업
응용 분야
용도For inclusion of NNAL into a polymer matrix. Kit Contents:Vial 1: 0.5g 4-(N-Methyl)-1-(3-pyridyl)-1-butanol Vial 2: 0.5g Propionaldehyde Vial 3: 3g dried molecular sieves. (This experiment should be conducted by a trained chemist) Directions: In an efficient fume hood, add the contents of Vial 2 (anhydrous Toluene can be used to ensure complete transfer of the liquid) and Vial 3 to Vial 1. Dilute with 15mL of anhydrous Toluene and reseal tightly. Shake or stir at 50-60°C in the hood for 3 hours. After cooling the mixture is ready for use as is or after filtration to remove sieves. Gives approximately 100-200mg of final product if done correctly.
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