Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1R-(1알파, 4A베타, 10A알파)-1,2,3,4,4A,9,10,10A-옥타히드로- 1,4A-디메틸-7-(1-메틸에틸)-1-페난트렌메탄아민
1R-(1알파,4A베타,10A알파)-1,2,3,4,4A,9,10,10A-옥타히드로-1,4A-디메틸-7-(1-메틸에틸)-1-페난트렌메탄아민 · 1R-(1알파,4A베타,10A알파)-1,2,3,4,4A,9,10,10A-옥타히드로-1,4A-다이메틸-7-... · Leelamine · AMINE D · DEHYDROABIETHYLAMINE · ((1R,4aS,10aR)-7-Isopropyl-1,4a-diMethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthren-1-yl)MethanaMine · Dehydrobietylamine · NSC 2955
식별자 및 물리적 특성
| CAS No. | 1446-61-3 |
|---|---|
| 분자식 | C20H31N |
| 평균 분자량 | 285.5 g/mol |
| 단동위원소 질량 | 285.24564999 g/mol |
| SMILES | CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CN)CCC[C@]21C |
| InChIKey | JVVXZOOGOGPDRZ-SLFFLAALSA-N |
| PubChem CID | 62034 |
| ChEMBL | CHEMBL70488 |
| ChEBI | CHEBI:93086 |
| EC No. | 215-899-7 |
| DTXSID | DTXSID2041834 |
| 현지명 | 1R-(1알파, 4A베타, 10A알파)-1,2,3,4,4A,9,10,10A-옥타히드로- 1,4A-디메틸-7-(1-메틸에틸)-1-페난트렌메탄아민 |
화학 및 물리적 성질
| XLogP | 5.4 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 21 |
| 형식 전하 | 0 |
| 복잡도 | 376 |
| 물질 분류 | Biological Agents -> Rosin and Derivatives |
| 밀도 | 1.5460 at 20 °C /technical grade/0.963±0.06 g/cm3 (20 ºC 760 Torr) |
| Viscosity | 1.36X10-2 Pa.s @ 317.65 deg K |
| Color/Form | PALE YELLOW VISCOUS LIQUID /TECHNICAL GRADE/ |
| 녹는점 | 317.65 deg K44.50℃ |
| 증기압 | 0.0000042 [mmHg]4.2X10-6 mm Hg |
| Surface Tension | 3.38X10-2 N/m @ 317.65 deg K |
| Optical Rotation | Specific optical rotation is +56.1 deg (c=2.4, pyridine) /technical grade/ |
| Heat of Vaporization | 9.406X10+7 J/kmol @ 317.65 deg K |
| Physical Description | Pale yellow viscous liquid[HSDB] |
| Collision Cross Section | 188.9 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID1047102] |
| Other Experimental Properties | Liquid molar volume is 0.29 cu m/kmol. |
| 끓는 점 | 417.89°C (rough estimate) |
| 굴절률 | n20/D 1.546(lit.) |
| 인화점 | >230 °F |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| 용해도 | 클로로포름, DMSO, 메탄올 에 용해됨 |
| 물리적 상태 | 백색 고체. |
| pKa(산도 계수) | 10.13±0.29(Predicted) |
| 색상 | 옅은 노랑 |
| BRN | 3084620 |
| InChI | InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1 |
| InChIKey | JVVXZOOGOGPDRZ-SLFFLAALSA-N |
| SMILES | [C@@]1(C)(CN)[C@@]2([H])[C@@](C)(C3=C(CC2)C=C(C(C)C)C=C3)CCC1 |
| EPA | Dehydroabietylamine (1446-61-3) |
화학적 성질
clear yellow viscous liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 4.5% (7 of 155) of reports.WarningH315 (94.8%): 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 155 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Danger |
|---|---|
| 규제 정보 | Chemical: 1-Phenanthrenemethanamine, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-Dehydroabietylamine (mixture of isomeres): Does not have an individual approval but may be used under an appropriate group standard |
| 유해성 요약 | An irritantMay cause allergic skin reaction[MP Biomedicals MSDS] Abietic acid is the active allergen present in colophony. [Marks, p. 80] See Abietic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (94.8%)Skin Corr. 1B (100%) |
| Critical Temperature and Pressure | Critical temperature = 863.00 deg Kcritical pressure = 1.7X10+6 Pa |
| 처리 방법 | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | TP8701000 |
| 관세 코드 | 29214990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
용도
용도
Dehydroabiethylamine is a primary amine with high molecular weight; shows a strong antibiotic effect with a broad spectrum of activity against Staphylococcus p.a. (sic), Escherichia coli, Mycobacterium tuberculosis, and Candida albicans.