기본 정보
- CAS
1615-15-2- 표준 SMILES
Cc1nccn1CCO- InChIKey
JJWKKSUCSNDHNJ-UHFFFAOYSA-N- 분자식
- C6H10N2O
- 평균 분자량
- 126.16 g/mol
- 단동위원소 질량
- 126.07931294
개요
leptospirocidal agent; RN given refers to parent cpd
이름 및 식별자
- 우선 이름
- 2-Methyl-1H-imidazole-1-ethanol
- IUPAC
- 2-(2-methylimidazol-1-yl)ethanol
- 현지명
- 1-(2-하이드록시에틸)-2-메틸이미다졸
- 영어명
- 1-(2-Hydroxyethyl)-2-methylimidazole
- 분자식
- C6H10N2O
- 분자량
- 126.16
이름 및 동의어
1615-15-2Methimidol1H-Imidazole-1-ethanol, 2-methyl-2-Methyl-1H-imidazole-1-ethanolDTXSID5061821RefChem:811732methimidol monohydrochlorideDTXCID70351952-(2-Methyl-1H-imidazol-1-yl)ethanol1-(2-Hydroxyethyl)-2-methylimidazole2-(2-methylimidazol-1-yl)ethanol2-(2-methyl-1H-imidazol-1-yl)ethan-1-ol
이름 더 보기
1-(2-하이드록시에틸)-2-메틸이미다졸1-Hydroxy-2-methylimidazole2-methyl-1h-imidazole-1-ethanoImidazole-1-ethanol, 2-methyl-2-(2-methyl-1-imidazolyl)ethanol2-(2-methylimidazol-1-yl)ethan-1-ol1-(-Hydroxyethyl)-2-methyl imidazole
MFCD002099812-(2-methyl-imidazol-1-yl)-ethanolSCHEMBL440676SCHEMBL5981922SCHEMBL9570164ALBB-017810AKOS0095601301-(beta-hydroxyethyl)-2-methylimidazole
데이터베이스 식별자
- CAS
1615-15-2- PubChem CID
- 74169
- DTXSID
DTXSID5061821- EC Number
- 803-205-0
- Nikkaji
- J68.947E
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 38.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 87.1
물리화학적 성질
- 녹는점
- 63 · 63-65 °C(Solv: ethyl acetate (141-78-6))
- 끓는 점
- 130 · 130-133 °C(Press: 0.15-0.25 Torr)
- 밀도
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- liquid
- 산도 계수 (pKa)
- 14.66 · 14.66±0.10(Predicted)
- InChI
- 1S/C6H10N2O/c1-6-7-2-3-8(6)4-5-9/h2-3,9H,4-5H2,1H3
- InChIKey
- WBRXPJXONZZELM-UHFFFAOYSA-N
- SMILES
- CC1=NC=CN1CCO
- EPA
- 1 H-Imidazole-1-ethanol, · 1H-Imidazole-1-ethanol, 2-methyl- (1615-15-2)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 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 CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 22-41
- hazard_code
- Xn
- safety_code
- 26-39
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Imidazole-1-ethanol, 2-methyl-: INACTIVE
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