7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-

HCID 104185CAS 52372-39-1

기본 정보

표준 SMILES: CCN(CC)c1ccc2cc3c(oc2c1)c(C#N)c(=N)n1c2ccccc2nc31
InChIKey: FXFIDVQMNRVEGQ-UHFFFAOYSA-N
분자식: C23H19N5O
평균 분자량: 381.4 g/mol
단동위원소 질량: 381.15896025

이름 및 식별자

우선 이름: 7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-
IUPAC: 17-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile
영어명: Solvent Red 197
분자식: C23H19N5O
분자량: 381.43

이름 및 동의어

Solvent Red 19752372-39-17H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-EINECS 257-885-33-(Diethylamino)-7-imino-7H-[1]benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino-DTXSID30687503-(Diethylamino)-7-imino-7H-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-7H-(1)Benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile,3-(diethylamino)-7-imino-RefChem:547091DTXCID6041185

이름 더 보기

c.i. 505720Sudan Red 197Fluorol Red GKSolvent Red M6BPolysolve Red 199Rosaplast Red FSP.Solvent Red 197 >

257-885-33-(Diethylamino)-7-imino-7H-benzo[4,5]imidazo[1,2-a]chromeno[3,2-c]pyridine-6-carbonitrileMFCD0217621217-(diethylamino)-11-imino-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile3-(diethylamino)-7-imino-7H-chromeno[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrileC.I.Solvent Red 197C.I. Solvent red 19734HKH79XFH

데이터베이스 식별자

CAS: 52372-39-1
PubChem CID: 104185
DTXSID: DTXSID3068750
UNII: 34HKH79XFH
EC Number: 257-885-3
Nikkaji: J29.757G

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 77.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 29
형식 전하: 0
복잡도: 803

물리화학적 성질

끓는 점: 557.8 · 557.8±60.0 °C(Predicted)
밀도: 1.33 · 1.33±0.1 g/cm3(Predicted)
증기압: 0 Pa · 0Pa at 25℃
물리적 상태: powder to crystal
산도 계수 (pKa): 5.35 · 5.35±0.40(Predicted)
색상: Orange to Brown to Dark red
수용성: 11 · 11-35970μg/L at 20-25℃
InChI: InChI=1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3
InChIKey: FXFIDVQMNRVEGQ-UHFFFAOYSA-N
SMILES: C12C3=CC4=CC=C(N(CC)CC)C=C4OC3=C(C#N)C(=N)N1C1=CC=CC=C1N=2
LogP: 3.63 · 3.63-5.5 at 25℃
EPA: 7 H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, · 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino- (52372-39-1)

안전 및 규제

안전 데이터

tsca: TSCA listed
HS 번호: 2934.99.4400
기존화학 물질: KE-10406

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

湖北盛明安化工有限公司13928406992 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

武汉绿景丰华生物科技有限公司19972070065 · [email protected]

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