기본 정보
- CAS
2547-66-2- 표준 SMILES
c1ccc(CN2CN(Cc3ccccc3)CN(Cc3ccccc3)C2)cc1- InChIKey
VWVZIRPJPFJGFE-UHFFFAOYSA-N- 분자식
- C24H27N3
- 평균 분자량
- 357.5 g/mol
- 단동위원소 질량
- 357.22049787
이름 및 식별자
- 우선 이름
- 1,3,5-Tribenzylhexahydro-1,3,5-triazine
- IUPAC
- 1,3,5-tribenzyl-1,3,5-triazinane
- 현지명
- 1,3,5-트리벤질헥사히드로-1,3,5-트리아진
- 영어명
- 1,3,5-Tribenzylhexahydro-1,3,5-triazine
- 분자식
- C24H27N3
- 분자량
- 357.49
이름 및 동의어
1,3,5-Tribenzylhexahydro-1,3,5-triazine1,3,5-Triazine, hexahydro-1,3,5-tris(phenylmethyl)-EINECS 219-831-7DTXSID80180157NSC 169717RefChem:412625DTXCID90102648219-831-71,3,5-tribenzyl-1,3,5-triazinane2547-66-2MFCD00014599C24H27N3
이름 더 보기
1,3,5-트리벤질헥사히드로-1,3,5-트리아진LABOTEST-BB LT001382011,3,5-TRIBENZYLHEXAHYDRO-S-TRIAZINEHexahydro-1,3,5-tribenzyl-1,3,5-triazine1,3,5-Tribenzylhexahydro-1,3,5-triazine 98%1,3,5-Tribenzyl-1,3,5-triazinane - [T94291]1,3,5-TRIBENZYLHEXAHYDRO-1,3,5-TRIAZINE 98+%
NB44XJH3W2Hexahydro-1,3,5-tris(phenylmethyl)-1,3,5-triazineNSC-1697171,3,5-tribenzyl-[1,3,5]triazinane1,3,5-trisbenzyl-1,3,5-triazaperhydroineNSC169717UNII-NB44XJH3W2SCHEMBL1639911
데이터베이스 식별자
- CAS
2547-66-2- PubChem CID
- 75685
- DTXSID
DTXSID80180157- UNII
- NB44XJH3W2
- EC Number
- 219-831-7
- Nikkaji
- J192.038C
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 9.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 334
물리화학적 성질
- 녹는점
- 49 · 49-51 °C(lit.)
- 끓는 점
- 100 °C0.005 · 100 °C0.005 mm Hg(lit.)
- 밀도
- 113 · 113
- 굴절률
- 1.627 · 1.6270 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- solid
- 산도 계수 (pKa)
- 5.46 · 5.46±0.20(Predicted)
- InChI
- 1S/C24H27N3/c1-4-10-22(11-5-1)16-25-19-26(17-23-12-6-2-7-13-23)21-27(20-25)18-24-14-8-3-9-15-24/h1-15H,16-21H2
- InChIKey
- VWVZIRPJPFJGFE-UHFFFAOYSA-N
- SMILES
- C1N(CN(CN1Cc2ccccc2)Cc3ccccc3)Cc4ccccc4
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information1,3,5-Tribenzylhexahydro-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)
규제 정보
Regulatory Information1,3,5-Tribenzylhexahydro-1,3,5-triazine: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- HS 번호
- 29336990
- risk_code
화학 및 산업
응용 분야
용도1,3,5-Tribenzylhexahydro-1,3,5-triazine is used as a reagent in the synthesis of phosphinic acid based NAALADase inhibitors which may potentially be used for the treatment of both neurodegenerative disorders and peripheral neuropathies.
상·하류 제품 정보
상류 원료
공급사62 곳
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
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