하이드록시에틸-1-메틸피롤리딘

1-Methyl-2-pyrrolidineethanol

HCID 93363

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 67004-64-2
표준 SMILES: CN1CCCC1CCO
InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N
분자식: C7H15NO
평균 분자량: 129.2 g/mol
단동위원소 질량: 129.1153641

이름 및 식별자

우선 이름: 1-Methyl-2-pyrrolidineethanol
IUPAC: 2-(1-methylpyrrolidin-2-yl)ethanol
현지명: 하이드록시에틸-1-메틸피롤리딘
영어명: 1-Methyl-2-pyrrolidineethanol
분자식: C7H15NO
분자량: 129.2

이름 및 동의어

1-Methyl-2-pyrrolidineethanol67004-64-22-Pyrrolidineethanol, 1-methyl-UNII-46PY6SCZ39EINECS 266-538-546PY6SCZ392-(n-methylpyrrolidin-2-yl)ethanol2-(2-Hydroxyethyl)-N-methylpyrrolidineN-methyl-2-(2-hydroxyethyl)pyrrolidineRefChem:762481-METHYL-2-PYRROLIDINEETHANOL, (+-)-266-538-5

이름 더 보기

하이드록시에틸-1-메틸피롤리딘1-메틸-2-피롤리딘에탄올2-(2-HYDROXYETHYL)-N-METHYL-PYRROLIDINEClemastine Impurity DClemastine EP Impurity DHYDROXYETHYLMETHYLPYRROLIDINE1-Methylpyrrolidine-2-EthanolN-METHYL-2-PYRROLIDINEETHANOL

FYVMBPXFPFAECB-UHFFFAOYSA-N2-(1-methylpyrrolidin-2-yl)ethanol1-Methyl-2-pyrrolidine ethanol2-(2-Hydroxyethyl)-1-methylpyrrolidineClemastine Impurity 42-(1-methylpyrrolidin-2-yl)ethan-1-olMFCD000031742-(1-Methyl-2-pyrrolidine)ethanol

데이터베이스 식별자

CAS: 67004-64-2
PubChem CID: 93363
DTXSID: DTXSID40985827
UNII: 46PY6SCZ39
EC Number: 266-538-5
Nikkaji: J149.938F、J25.984E、J25.985C

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 23.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 85

물리화학적 성질

끓는 점: 110 · 110-112 °C14 mm Hg(lit.)
밀도: 0.951 g/mL · 0.951 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4713(lit.)
인화점: 184 °F · 184 °F
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: 투명한 액체
산도 계수 (pKa): 15.03 · 15.03±0.10(Predicted)
색상: Colorless to Red to Green
InChI: InChI=1S/C7H15NO/c1-8-5-2-3-7(8)4-6-9/h7,9H,2-6H2,1H3
InChIKey: FYVMBPXFPFAECB-UHFFFAOYSA-N
SMILES: N1(C)CCCC1CCO

화학적 성질

clear yellow to brownish liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 2 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.