기본 정보
- 표준 SMILES
C[N+](C)(C)CCO.[OH-]- InChIKey
KIZQNNOULOCVDM-UHFFFAOYSA-M- 분자식
- C5H15NO2
- 평균 분자량
- 121.18 g/mol
- 단동위원소 질량
- 121.11027872
이름 및 식별자
- 우선 이름
- Choline, hydroxide
- IUPAC
- 2-hydroxyethyl(trimethyl)azanium hydroxide
- 현지명
- 2-하이드록시-N,N,N-트리메틸에탄아미늄 수산화물
- 영어명
- Choline hydroxide
- 분자식
- C5H15NO2
- 분자량
- 121.18
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
123-41-1- PubChem CID
- 31255
- DTXSID
DTXSID9047467- ChEMBL
CHEMBL3187547- UNII
- 7THJ3EG9SY
- EC Number
- 204-625-1
물성
구조 계산 물성
- 극성 표면적
- 21.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 8
- 형식 전하
- 0
- 복잡도
- 46
실험 및 물리화학적 성질
Physical Description
Liquid
45% aqueous solution: Brown viscous liquid; [Acros Organics MSDS]
물리화학적 성질
- 녹는점
- 236 · 236~239℃
- 밀도
- 1.09 g/mL · 1.09 g/mL at 20 °C
- 증기압
- 28.284 hPa · 28.284hPa at 25℃
- 굴절률
- 20 · n20/D 1.4304
- 인화점
- 92 °F · 92 °F
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- Water (easy), ethanol (difficult to dissolve (1-pentanol)), ether (insoluble)
- 물리적 상태
- 과립분말
- 산도 계수 (pKa)
- 13.9 · 13.9(at 25℃)
- 색상
- 하얀색
- 수용성
- 혼용 가능
- Merck
- 14 · 14,2204
- 안정성
- 안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
- InChI
- 1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
- InChIKey
- KIZQNNOULOCVDM-UHFFFAOYSA-M
- SMILES
- [OH-].C[N+](C)(C)CCO
- LogP
- -2.25 at · -2.25 at 25℃
- EPA
- 2 · Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (123-41-1)
화학적 성질
clear light yellow viscous solution
안전 및 규제
GHS 분류
GHS Classification
Danger
H314 (99.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H318 (69%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (20.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H373 (20.2%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 352 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;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: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) 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: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
독성 정보
규제 정보
Regulatory Information
Chemical: Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1) 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: 24-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5289
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- GA4025500
- ridadr
- UN 3286 3/PG 2
- HS 번호
- 29231000
- risk_code
- 34-35-43-39/23/24/25-23/24/25-10-R35
- hazard_code
- C,T
- safety_code
- 26-36/37/39-45-S45-S36/37/39-S26
- 포장분류
- II
- 위험 등급
- 8
- 기존화학 물질
- 2002-3-2141
- F 고인화성물질
- 8-9-23
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BEye Dam. 1Flam. Liq. 3Skin Corr. 1ASTOT SE 1
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Endogenous factors or drugs that increase the transport and metabolism of LIPIDS including the synthesis of LIPOPROTEINS by the LIVER and their uptake by extrahepatic tissues.
Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms.
용도 및 제조
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing;Computer and Electronic Product Manufacturing;All Other Chemical Product and Preparation Manufacturing;All Other Basic Organic Chemical Manufacturing;Other (requires additional information)
Ethanaminium, 2-hydroxy-N,N,N-trimethyl-, hydroxide (1:1): ACTIVE
응용 분야
용도Choline hydroxide is used as a precursor molecule for the neurotransmitter acetylcholine, it is involved in several functions including muscle and memory muscle control. It was used as a basic catalyst for aldol condensation reactions.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의An amino alcohol,CH2OHCH2N(CH3)3OH. It occurswidely in living organisms as aconstituent of certain types ofphospholipids– the lecithins andsphingomyelins– and in the neurotransmitteracetylcholine. It issometimes classified as a memberof the vitamin B complex.
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