기본 정보
- 표준 SMILES
CNCCOC- InChIKey
KOHBEDRJXKOYHL-UHFFFAOYSA-N- 분자식
- C4H11NO
- 평균 분자량
- 89.14 g/mol
- 단동위원소 질량
- 89.08406397
이름 및 식별자
- 우선 이름
- (2-Methoxyethyl)(methyl)amine
- IUPAC
- 2-methoxy-N-methylethanamine
- 영어명
- N-(2-METHOXYETHYL)METHYLAMINE
- 분자식
- C4H11NO
- 분자량
- 89.14
이름 및 동의어
(2-methoxyethyl)(methyl)amineRefChem:396002624-188-42-Methoxy-N-methylethanamine38256-93-8N-(2-Methoxyethyl)methylamine(2-methoxyethyl)methylaminen-(methoxyethyl)methylamineMFCD001448292-methoxy-N-methyl-ethanamineN-(2-methoxyethyl)-N-methylamineN-methyl-2-methoxyethylamine
이름 더 보기
2-METHOXY-N-METHYL-1-ETHANAMINEEthanamine,2-methoxy-N-methyl-
2-Methoxy-N-methylethylamine2-Methoxy-N-methylethan-1-amineEthanamine, 2-methoxy-N-methyl-Methyl(2-methoxyethyl)amineN-Methyl-2-methoxyethanamine1-Methoxy-2-(methylamino)ethanemethoxyethylmethylamine2-Methoxyethylmethylamine
데이터베이스 식별자
- CAS
38256-93-8- PubChem CID
- 300977
- DTXSID
DTXSID60306474- EC Number
- 624-188-4
- Nikkaji
- J256.602H
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 21.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 23.5
물리화학적 성질
- 끓는 점
- 96 °C · 96 °C
- 밀도
- 0.83 · 0.83
- 굴절률
- 20 · n20/D1.401
- 인화점
- 1 ℃ · 1℃
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- 물리적 상태
- 투명한 액체
- 산도 계수 (pKa)
- 9.52 · 9.52±0.10(Predicted)
- Specific Gravity
- 0.83 · 0.83
- 색상
- Colorless to Light yellow to Light orange
- InChI
- InChI=1S/C4H11NO/c1-5-3-4-6-2/h5H,3-4H2,1-2H3
- InChIKey
- KOHBEDRJXKOYHL-UHFFFAOYSA-N
- SMILES
- C(NC)COC
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+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 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- 2734
- HS 번호
- 2922.19.9690
- risk_code
- 11-34-43-41-37/38-22
- hazard_code
- Xi,Xn,F
- safety_code
- 26-36/37/39
- 포장분류
- Ⅱ
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도N-(2-methoxyethyl)methylamine can be used as a molecular building block for the synthesis of drugs.
상·하류 제품 정보
상류 원료
하류 제품
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