기본 정보
- CAS
227000-85-3- 표준 SMILES
CC(ON(C(c1ccccc1)C(C)C)C(C)(C)C)c1ccc(CCl)cc1- InChIKey
WZYBDTCNEIULNZ-UHFFFAOYSA-N- 분자식
- C23H32ClNO
- 평균 분자량
- 374 g/mol
- 단동위원소 질량
- 373.2172423
이름 및 식별자
- 우선 이름
- N-tert-Butyl-O-[1-[4-(chloromethyl)phenyl]ethyl]-N-(2-methyl-1-phenylpropyl)hydroxylamine
- IUPAC
- N-tert-butyl-N-[1-[4-(chloromethyl)phenyl]ethoxy]-2-methyl-1-phenylpropan-1-amine
- 영어명
- N-tert-Butyl-O-[1-[4-(chloroMethyl)phenyl]ethyl]-N-(2-Methyl-1-phenylpropyl)hydroxylaMine
- 분자식
- C23H32ClNO
- 분자량
- 373.96
이름 및 동의어
227000-85-3N-tert-Butyl-O-[1-[4-(chloromethyl)phenyl]ethyl]-N-(2-methyl-1-phenylpropyl)hydroxylamineN-tert-butyl-N-[1-[4-(chloromethyl)phenyl]ethoxy]-2-methyl-1-phenylpropan-1-amineN-(tert-Butyl)-O-(1-(4-(chloromethyl)phenyl)ethyl)-N-(2-methyl-1-phenylpropyl)hydroxylamineN-tert-Butyl-N-{1-[4-(chloromethyl)phenyl]ethoxy}-2-methyl-1-phenylpropan-1-amineSCHEMBL3392329DTXSID706279251-(1-{[tert-butyl(2-methyl-1-phenylpropyl)amino]oxy}ethyl)-4 (chloromethyl)benzeneN-tert-Butyl-O-[1-(4-chloromethyl-phenyl)-ethyl]-N-(2-methyl-1-phenyl-propyl)-hydroxylamineN-[1-[4-(chloromethyl)phenyl]ethoxy]-N-1,1-dimethylethyl-α-(1-methylethyl)benzylamineN-[1-[4-(chloromethyl)phenyl]ethoxy]-N-(1,1-dimethylethyl)-α-(1-methylethyl)benzenemethanamineBenzenemethanamine, N-[1-[4-(chloromethyl)phenyl]ethoxy]-N-(1,1-dimethylethyl)-α-(1-methylethyl)-
데이터베이스 식별자
- CAS
227000-85-3- PubChem CID
- 22733773
- DTXSID
DTXSID70627925- EC Number
- 686-959-1
- Nikkaji
- J1.866.953F
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 12.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 392
물리화학적 성질
- 녹는점
- 43 · 43-47°C
- 끓는 점
- 461.3 · 461.3±55.0 °C(Predicted)
- 밀도
- 1.043 · 1.043±0.06 g/cm3(Predicted)
- 인화점
- 110 ℃ · >110℃
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.78 · 2.78±0.70(Predicted)
- InChI
- 1S/C23H32ClNO/c1-17(2)22(21-10-8-7-9-11-21)25(23(4,5)6)26-18(3)20-14-12-19(16-24)13-15-20/h7-15,17-18,22H,16H2,1-6H3
- InChIKey
- WZYBDTCNEIULNZ-UHFFFAOYSA-N
- SMILES
- CC(C)C(N(OC(C)c1ccc(CCl)cc1)C(C)(C)C)c2ccccc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
P210, P220, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesOx. Sol. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 3085 8(5.1) / PGIII
- risk_code
- 8-34
- hazard_code
- O,C
- safety_code
- 17-26-36/37/39-45
- Hazard Classifications
- Ox. Sol. 3Skin Corr. 1B
- 스토리지 클래스
- 5.1B - Oxidizing hazardous materials
화학 및 산업
응용 분야
용도Block Copolymer Synthesis Using a Commercially Available NMP Inititator
일반 설명For a synthetic protocol using NMP initiators, contributed by Prof. Karen Wooley, please visit our technology spotlight.
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