기본 정보
- CAS
21451-74-1- 표준 SMILES
Cc1ccc2c(c1)CN1CN2Cc2cc(C)ccc21- InChIKey
SXPSZIHEWFTLEQ-UHFFFAOYSA-N- 분자식
- C17H18N2
- 평균 분자량
- 250.34 g/mol
개요
structure given in first source
이름 및 식별자
- 우선 이름
- Troger base
- IUPAC
- 5,13-dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
- 영어명
- (+)-TROGER'S BASE
- 분자식
- C17H18N2
- 분자량
- 250.34
이름 및 동의어
Troeger's base529-81-72,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocineSP9UUR2HG4NSC-682112,8-Dimethyl-6H,12H-5,11-methanodibenzo(b,f)(1,5)diazocine6H,12H-5,11-Methanodibenzo(b,f)(1,5)diazocine, 2,8-dimethyl-DTXSID302009502,8-dimethyl-6H,12H-5,11-methanodibenzo(b,f)(1,5)-diazocine6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-Troger baseRefChem:900656
이름 더 보기
(+)-Trger's base(+)-Trδgers base(+)-trǒger's base(R)-2,8-dimethyl-5,11-methanodibenzo (B,F)(1,5)diazocin(+)-TROGER'S BASE, FLUKABRAND CHIRA-SELE CT REAGENT, 99+%(5R,11R)-(+)-2,8-DIMETHYL-6H,12H-5,11-METHANODIBENZO[B,F][1,5]DIAZOCIN(5R,11R)-(+)-2,8-DIMETHYL-6H,12H-5,11-METHANODIBENZO(B,F)(1,5)DIAZOCINE6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethyl-, (5S,11S)-(5S,11S)-(+)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
DTXCID60123441Troger's base14645-24-021451-74-1(-)-TROGER'S BASE(+)-Troger's base(-)-TROGER/'S BASE(5S,11S)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
데이터베이스 식별자
- CAS
21451-74-1- ChEMBL
CHEMBL1303327- UNII
- SP9UUR2HG4
- EC Number
- 621-668-5、633-933-2
- Nikkaji
- J12.884H、J821.202C、J917.938K
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 6.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 310
물리화학적 성질
- 녹는점
- 127 · 127-131 °C(lit.)
- 끓는 점
- 461 · 461.0±45.0 °C(Predicted)
- 밀도
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.53 · 4.53±0.20(Predicted)
- BRN
- 88612 · 88612
- InChI
- 1S/C17H18N2/c1-12-3-5-16-14(7-12)9-18-11-19(16)10-15-8-13(2)4-6-17(15)18/h3-8H,9-11H2,1-2H3
- InChIKey
- SXPSZIHEWFTLEQ-UHFFFAOYSA-N
- SMILES
- Cc1ccc2[N@H]3C[N@@H](Cc2c1)c4ccc(C)cc4C3
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]
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 57 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
유해성 정보
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- F 고인화성물질
- 10-23
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도It was used as an standard analyte for testing the enantioseparation capability of the chiral stationary phase column; in a study to understand the covalently bonded cellulose tris(3,5-dimethylphenylcarbamate) on a silica monolithic capillary column.
일반 설명Trger base (TB) is a chiral heterocyclic amine with chirality due to the presence of two stereogenic nitrogen atoms.
공급사3 곳
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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