1,3,4,6,7,8-헥사하이드로-1-메틸-2H-피리미돌[1,2-A]피리미딘

7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene

HCID 123583CAS 84030-20-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCN2CCCN=C12
InChIKey: OEBXWWBYZJNKRK-UHFFFAOYSA-N
분자식: C8H15N3
평균 분자량: 153.22 g/mol
단동위원소 질량: 153.12659748

이름 및 식별자

우선 이름: 7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene
IUPAC: 1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
현지명: 1,3,4,6,7,8-헥사하이드로-1-메틸-2H-피리미돌[1,2-A]피리미딘
영어명: 1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimidol[1,2-a]pyrimidine
분자식: C8H15N3
분자량: 153.22

이름 및 동의어

7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido[1,2-a]pyrimidine1,3,4,6,7,8-Hexahydro-1-methyl-2H-pyrimido(1,2-a)pyrimidine2H-Pyrimido[1,2-a]pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-EINECS 281-791-1DTXSID702329327-methyl-1,5,7-triazabicyclo(4.4.0)dec-5-ene2H-Pyrimido(1,2-a)pyrimidine, 1,3,4,6,7,8-hexahydro-1-methyl-RefChem:106326DTXCID00155423281-791-1OEBXWWBYZJNKRK-UHFFFAOYSA-N

이름 더 보기

1,3,4,6,7,8-헥사하이드로-1-메틸-2H-피리미돌[1,2-A]피리미딘CATALYST MTBD7-Methyl-1,5,7-triazabicyclo[4.4.]dec-5-ene7-methyl-1,5,7-triazadicyclo[4.4.0]decyl-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]decane-5-ene7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene>

84030-20-6MTBD1-Methyl-2,3,4,6,7,8-hexahydro-1H-pyrimido[1,2-a]pyrimidine1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidineMFCD000430041-Methyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidineS8JQ539BWX1-methyl-1H,2H,3H,4H,6H,7H,8H-[1,3]diazino[1,2-a]pyrimidine

데이터베이스 식별자

CAS: 84030-20-6
PubChem CID: 123583
DTXSID: DTXSID70232932
UNII: S8JQ539BWX
EC Number: 281-791-1
Nikkaji: J267.465C

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 18.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 176

물리화학적 성질

끓는 점: 75 · 75-79 °C0.1 mm Hg(lit.)
밀도: 1.067 g/mL · 1.067 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.537(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · Inert atmosphere,2-8°C
산도 계수 (pKa): 14.37 · 14.37±0.20(Predicted)
물리적 상태: 투명한 액체
색상: 무색~황색~주황색
BRN: 7635759 · 7635759
InChI: InChI=1S/C8H15N3/c1-10-5-3-7-11-6-2-4-9-8(10)11/h2-7H2,1H3
InChIKey: OEBXWWBYZJNKRK-UHFFFAOYSA-N
SMILES: C12=NCCCN1CCCN2C

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.

Danger

H314 (97.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (97.7%)

안전 데이터

wgk: 3
ridadr: UN 3267 8/PG 2
HS 번호: 29335990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
F 고인화성물질: 10
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene may be used in microwave-promoted, palladium-catalyzed C-N bond-forming reactions with aryl/heteroaryl nonaflates and amines. It may be used as strong base to investigate the podand solvents, tris(oxaalkyl)phenylsilanes and tris(oxaalkyl)phosphates.

일반 설명7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene is a soluble amine base. It forms 1:1 complexes with 4-nitrophenyl[bis(diethylsulfonyl)]methane and phenyl[bis(diethylsulfonyl)]methane and their structures have been studied by FT-IR, 1H NMR and PM5 semiempirical methods. Catalytic performance of 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene for the transesterification of rapseed oil with methanol has been investigated.