기본 정보
- CAS
65281-77-8- 표준 SMILES
CC(C)c1c(Cl)cc2c(c1Cl)CC[C@H]1[C@](C)(C(=O)O)CCC[C@]21C- InChIKey
RKQWIQSTFSBVMQ-CDHQVMDDSA-N- 분자식
- C20H26Cl2O2
- 평균 분자량
- 369.3 g/mol
- 단동위원소 질량
- 368.1309855
개요
structure in first source
이름 및 식별자
- 우선 이름
- 12,14-Dichlorodehydroabietic acid
- IUPAC
- (1R,4aS,10aR)-6,8-dichloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
- 현지명
- 12,14-디클로로데하이드로아비에트산
- 영어명
- 12,14-dichlorodehydroabietic acid
- 분자식
- C20H26Cl2O2
- 분자량
- 369.33
이름 및 동의어
12,14-DICHLORODEHYDROABIETIC ACID65281-77-8DTXSID9085881512,14-dichlorodehydro-abietic acidRefChem:78103DTXCID40809559(1R,4aS,10aR)-6,8-dichloro-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid[1R-(1alpha,4abeta,10aalpha)]-6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-Phenanthrenecarboxylic acid; (1R,4aS,10aR)-6,8-Dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acidDichloroabietic acid12,14-Dichloroabieta-8,11,13-trien-18-oic acidC20H26Cl2O2CHEMBL514946
이름 더 보기
12,14-디클로로데하이드로아비에트산DichlorodehydroabieticAbietic Acid Impurity 1812,14-Dichlorodehydroabietic Acid (>90%)12,14-Dichloroabieta-8(14),9(11),12-triene-18-oic acid(1R)-1,4aβ-Dimethyl-6,8-dichloro-7-isopropyl-1,2,3,4,4a,9,10,10aα-octahydrophenanthrene-1α-carboxylic acid
orb1984438SCHEMBL1392338512,14-dichlorodihydroabietic AcidAKOS0407582591-Phenanthrenecarboxylic acid, 6,8-dichloro-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)-DA-59851FD168595HY-133596
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 508
물리화학적 성질
- 녹는점
- 222 · 222 - 237°C
- 끓는 점
- 469.6 · 469.6±45.0 °C(Predicted)
- 밀도
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C, · 4°C, Inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 4.6 · 4.60±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- EPA
- 12 · 12,14-Dichlorodehydroabietic acid (65281-77-8)
화학 및 산업
응용 분야
용도12,14-Dichlorodehydroabietic acid is a GABAA receptor inhibitor found in resin acids. It has been used as a flocculation agent of in analytical pre-concentration steps. It is also a known chloro-organic pollutant found in paper mills wastewater.
공급사6 곳
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
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BOC Sciences+1-631-485-4226 · [email protected]
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