3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one

HCID 2763079CAS 63234-80-0

기본 정보

표준 SMILES: Cc1nc2n(c(=O)c1CCCl)CCCC2
InChIKey: CMWCQQUYLPYOMY-UHFFFAOYSA-N
분자식: C11H15ClN2O
평균 분자량: 226.7 g/mol
단동위원소 질량: 226.08729078

이름 및 식별자

우선 이름: 3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
IUPAC: 3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
영어명: 3-(2-Chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
분자식: C11H15ClN2O
분자량: 226.7

이름 및 동의어

63234-80-03-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]pyrimidin-4-one3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido[1,2-a]pyrimidin-4-oneRisperidone impurity L [EP]Piperidopyrimidinone intermediate2089CR1AQN3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-oneDTXSID002126264H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-RISPERIDONE IMPURITY L [EP IMPURITY]RISPERIDONE IMPURITY L (EP IMPURITY)3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido(1,2-a)pyrimidin-4-one

이름 더 보기

3-(2-Chloroethyl)-6Paliperidone Impurity 26Risperidone Chloro IMpurityRisperidone Intermediate III3-(2-Chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-Risperidone Impurity 12(Risperidone EP Impurity L)-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

3-(2-chloroethyl)-6,7,8,9-tetrahydro-2-methyl-4h-pyrido(1,2-a)pyrimidin-4-oneRisperidone impurity LRefChem:490882DTXCID30135117613-192-1Risperidone EP Impurity L3-(2-Chloro-ethyl)-2-methyl-6,7,8,9-tetrahydro-pyrido[1,2-a]pyrimidin-4-one3-(2-chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4h-pyrido[1,2-a]-pyrimidin-4-one

데이터베이스 식별자

CAS: 63234-80-0
PubChem CID: 2763079
DTXSID: DTXSID00212626
UNII: 2089CR1AQN
EC Number: 613-192-1
Nikkaji: J2.208.362G

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 346

물리화학적 성질

녹는점: 68.5 · 68.5-69.5 °C
끓는 점: 337 °C · 337 °C
밀도: 1.3 · 1.30
인화점: 157 °C · 157 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.58 · 3.58±0.70(Predicted)
색상: 흰색에서 황백색까지
InChI: InChI=1S/C11H15ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7H2,1H3
InChIKey: CMWCQQUYLPYOMY-UHFFFAOYSA-N
SMILES: C12CCCCN1C(=O)C(CCCl)=C(C)N=2

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 CategoriesSkin Irrit. 2 (100%)

안전 데이터

ridadr: UN3261
HS 번호: 2933.99.9701
risk_code: 25
hazard_code: T
safety_code: 45
위험 등급: IRRITANT

화학 및 산업

상·하류 제품 정보

상류 원료

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