기본 정보
- CAS
755039-55-5- 표준 SMILES
CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCCC1- InChIKey
RDOMCFLYXZACAX-SNVBAGLBSA-N- 분자식
- C14H19ClN4O
- 평균 분자량
- 294.78 g/mol
- 단동위원소 질량
- 294.12473891
이름 및 식별자
- 우선 이름
- (R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
- IUPAC
- (7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one
- 영어명
- (R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-one
- 분자식
- C14H19ClN4O
- 분자량
- 294.78
이름 및 동의어
(R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-oneRefChem:407214875-055-4755039-55-5(7R)-2-CHLORO-8-CYCLOPENTYL-7-ETHYL-7,8-DIHYDRO-5-METHYL-6(5H)-PTERIDINONE(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-oneMFCD10698781(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-5,6,7,8-tetrahydropteridin-6-oneDTXSID90647504CS-M0328(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydropteridin-6(5H)-oneA865669
이름 더 보기
6(5H)-pte(7R)-2-ChBI-2536 parent nucleus6(5H)-Pteridinone, 2-chloro-8-cyclopentyl-7-ethyl-7,8-dihydr...2-Chloro-8-cyclopentyl-7-ethyl-5-Methyl-7,8-dihydro-5H-pteridin-6-one(R)-2-CHLORO-8-CYCLOPENTYL-7-ETHYL-5-METHYL-7,8-DIHYDROPTERIDIN-6(5H)-ON(R)-2-Chloro-8-cyclopentyl-7-ethyl-5-methyl-7,8-dihydro-5H-pteridin-6-one
SCHEMBL376094RDOMCFLYXZACAX-SNVBAGLBSA-NAKOS016007032DS-17734SY292555DB-235575F231561(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-5H-pteridin-6-one
데이터베이스 식별자
- CAS
755039-55-5- PubChem CID
- 24820413
- DTXSID
DTXSID90647504- EC Number
- 875-055-4
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 49.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 374
물리화학적 성질
- 끓는 점
- 537.5 · 537.5±45.0 °C(Predicted)
- 밀도
- 1.263 · 1.263±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 산도 계수 (pKa)
- 1.45 · 1.45±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
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