기본 정보
- CAS
4753-75-7- 표준 SMILES
CNCc1ccco1- InChIKey
DGLIOWSKNOCHEX-UHFFFAOYSA-N- 분자식
- C6H9NO
- 평균 분자량
- 111.14 g/mol
- 단동위원소 질량
- 111.06841391
이름 및 식별자
- 우선 이름
- N-Methylfurfurylamine
- IUPAC
- 1-(furan-2-yl)-N-methylmethanamine
- 현지명
- N-메틸푸르푸릴아민
- 영어명
- N-METHYLFURFURYLAMINE
- 분자식
- C6H9NO
- 분자량
- 111.14
이름 및 동의어
N-Methylfurfurylamine2-Furanmethanamine, N-methyl-N-Furfuryl-N-methylamine1-(2-furyl)-N-methylmethanamineN-methyl-2-Furanmethanamine(2-furanylmethyl)methylamine8NA5T44A2NNSC-78427DTXSID8063597RefChem:163828DTXCID2040575DGLIOWSKNOCHEX-UHFFFAOYSA-N
이름 더 보기
N-메틸푸르푸릴아민N-MethylfufurylamineN-Methylfurfurylamine 95%n-methyl-2-furanmethanaminM**N-METHYLFURFURYLAMINE, 95%
InChI=1/C6H9NO/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H4753-75-71-(furan-2-yl)-N-methylmethanamineFurfurylamine, N-methyl-(2-furylmethyl)methylamineMFCD00020961(furan-2-ylmethyl)(methyl)aminemethylfurfurylamine
데이터베이스 식별자
- CAS
4753-75-7- PubChem CID
- 78492
- DTXSID
DTXSID8063597- ChEMBL
CHEMBL4439478- UNII
- 8NA5T44A2N
- EC Number
- 225-278-2
- Nikkaji
- J37.035E
물성
구조 계산 물성
- XLogP
- 0.5
- 극성 표면적
- 25.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 65.5
물리화학적 성질
- 끓는 점
- 148 · 148-152 °C(lit.)
- 밀도
- 0.982 g/mL · 0.982 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.471(lit.)
- 인화점
- 105 °F · 105 °F
- 저장 조건
- 2 · 2-8°C(protect from light)
- 산도 계수 (pKa)
- 8.96 · 8.96±0.10(Predicted)
- InChI
- 1S/C6H9NO/c1-7-5-6-3-2-4-8-6/h2-4,7H,5H2,1H3
- InChIKey
- DGLIOWSKNOCHEX-UHFFFAOYSA-N
- SMILES
- CNCc1ccco1
- EPA
- 2 · 2-Furanmethanamine, N-methyl- (4753-75-7)
화학적 성질
Colorless to light yellow. Refr index1.4700–1.4720 (25C), distilling range 144–153C.Combustible.
안전 및 규제
GHS 분류
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- HS 번호
- 29321900
- risk_code
- 10-36/37/38
- hazard_code
- Xi
- safety_code
- 16-26-36
- 위험 등급
- IRRITANT
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing Information2-Furanmethanamine, N-methyl-: INACTIVE
응용 분야
용도Intermediate.
일반 설명N-Methylfurfurylamine is a secondary amine. It can be prepared by reacting furfural and aqueous trimethylamine.
상·하류 제품 정보
상류 원료
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