4-[(6-클로로피리딘-3-일)카르보닐]모르폴린

4-(6-Chloropyridine-3-carbonyl)morpholine

HCID 857499CAS 64614-49-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccc(Cl)nc1)N1CCOCC1
InChIKey: FCXXBTYIFBFZML-UHFFFAOYSA-N
분자식: C10H11ClN2O2
평균 분자량: 226.66 g/mol
단동위원소 질량: 226.05090527

이름 및 식별자

우선 이름: 4-(6-Chloropyridine-3-carbonyl)morpholine
IUPAC: (6-chloro-3-pyridinyl)-morpholin-4-ylmethanone
현지명: 4-[(6-클로로피리딘-3-일)카르보닐]모르폴린
영어명: 4-[(6-chloropyridin-3-yl)carbonyl]morpholine
분자식: C10H11ClN2O2
분자량: 226.66

이름 및 동의어

4-(6-chloropyridine-3-carbonyl)morpholine(6-Chloro-3-pyridinyl)-4-morpholinylmethanoneRefChem:514858850-280-064614-49-9(6-Chloropyridin-3-yl)(morpholino)methanone4-[(6-chloropyridin-3-yl)carbonyl]morpholine4-[(6-Chloro-3-pyridinyl)carbonyl]morpholineMFCD03750290(6-chloropyridin-3-yl)-morpholin-4-ylmethanone(6-chloropyridin-3-yl)(morpholin-4-yl)methanoneDTXSID70357654

이름 더 보기

4-[(6-클로로피리딘-3-일)카르보닐]모르폴린Albb-004234(morpholino)(6-Chloropyridin-3-yl)(6-chloro-3-pyridinyl)-(4-morpholinyl)methanoneMethanone, (6-chloro-3-pyridinyl)-4-morpholinyl-(6-chloro-pyridin-3-yl)-morpholin-4-yl-methanone

(6-chloro-3-pyridyl)-morpholino-methanoneF2147-02281-(6-Chloro-pyridin-3-yl)-1-morpholin-4-yl-methanoneA834829Oprea1_611672SCHEMBL2072292FCXXBTYIFBFZML-UHFFFAOYSA-NSMSSF-0017587

데이터베이스 식별자

CAS: 64614-49-9
PubChem CID: 857499
DTXSID: DTXSID70357654
EC Number: 850-280-0

물성

구조 계산 물성

XLogP: 0.9
극성 표면적: 42.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 15
형식 전하: 0
복잡도: 231

물리화학적 성질

저장 조건: Sealed in dry,Room Temperature
물리적 상태: solid
InChI: 1S/C10H11ClN2O2/c11-9-2-1-8(7-12-9)10(14)13-3-5-15-6-4-13/h1-2,7H,3-6H2
InChIKey: FCXXBTYIFBFZML-UHFFFAOYSA-N
SMILES: O=C(N1CCOCC1)C2=CN=C(Cl)C=C2

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.