기본 정보
- 표준 SMILES
COCC(C)N- InChIKey
NXMXETCTWNXSFG-UHFFFAOYSA-N- 분자식
- C4H11NO
- 평균 분자량
- 89.14 g/mol
- 단동위원소 질량
- 89.08406397
개요
Methoxyisopropylamine appears as a colorless liquid,with a pungent, ammonia-like odor. Less dense than water. Vapors heavier than air. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.
이름 및 식별자
- 우선 이름
- Methoxyisopropylamine
- IUPAC
- 1-methoxypropan-2-amine
- 현지명
- 2-메톡시이소프로필아민
- 영어명
- 1-Methoxy-2-propylamine
- 분자식
- C4H11NO
- 분자량
- 89.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
37143-54-7、49548-27-8- PubChem CID
- 123458
- DTXSID
DTXSID4029359- ChEMBL
CHEMBL3184692- UNII
- 35BQ7GUH18
- EC Number
- 422-550-4、609-333-1
- Nikkaji
- J303.829G
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 35.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 30.7
실험 및 물리화학적 성질
Physical Description
Methoxyisopropylamine appears as a colorless liquid,with a pungent, ammonia-like odor. Less dense than water. Vapors heavier than air. Contact may severely irritate skin, eyes and mucous membranes. May be toxic by ingestion, inhalation and skin absorption.
Liquid
물리화학적 성질
- 끓는 점
- 92.5 · 92.5-93.5 °C/743 mmHg (lit.)
- 밀도
- 0.845 g/mL · 0.845 g/mL at 25 °C (lit.)
- 증기압
- 38.4 · 38.4-50.54hPa at 20-25℃
- 굴절률
- 20 · n20/D 1.4065(lit.)
- 인화점
- 48 °F · 48 °F
- 저장 조건
- -20 °C · Storage temp. -20°C
- 용해도
- 클로로포름, 메탄올(약간)에 용해됨
- 산도 계수 (pKa)
- 8.84 · 8.84±0.10(Predicted)
- 물리적 상태
- 액체
- InChI
- 1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3
- InChIKey
- NXMXETCTWNXSFG-UHFFFAOYSA-N
- SMILES
- COCC(C)N
- LogP
- -2.35 · -2.35--0.28 at 25℃ and pH7.15-11
- EPA
- 1 · 1-Methoxy-2-propylamine (37143-54-7)
화학적 성질
Brown Syrup
안전 및 규제
GHS 분류
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
2-Propanamine, 1-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, 1-methoxy- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Cease Manufacture Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4675
Status: Active Update: 28-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/7581
Reactivity Profile
METHOXYISOPROPYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flam. Liq. 2 (100%)
Flammable liquid - category 2
Flam. Liq. 2
안전 및 보호
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 2733 3/PG 2
- risk_code
- 11-22-34-52/53
- hazard_code
- F,C
- safety_code
- 9-26-36/37/39-45-61
- 포장분류
- II
- 위험 등급
- 3.1
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Flam. Liq. 2Skin Corr. 1B
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing Information
All Other Basic Inorganic Chemical Manufacturing
2-Propanamine, 1-methoxy-: ACTIVE
응용 분야
용도1-Methoxy-2-propylamine is used in the preparation of heterocyclic compounds, as integrase inhibiting antiviral agents.
공급사50 곳
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