기본 정보
- CAS
63149-27-9- 표준 SMILES
CCC(C)(C)c1ccc(OCCCCNC(=O)c2cc(Oc3ccc(N)cc3)c3ccccc3c2O)c(C(C)(C)CC)c1- InChIKey
IRSKGCDDLMCVBY-UHFFFAOYSA-N- 분자식
- C37H46N2O4
- 평균 분자량
- 582.8 g/mol
- 단동위원소 질량
- 582.34575795
이름 및 식별자
- 우선 이름
- 2-Naphthalenecarboxamide, 4-(4-aminophenoxy)-N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-
- IUPAC
- 4-(4-aminophenoxy)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
- 영어명
- 4-(4-aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
- 분자식
- C37H46N2O4
- 분자량
- 582.77
이름 및 동의어
EINECS 263-964-32-Naphthalenecarboxamide, 4-(4-aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-DTXSID10697402-Naphthalenecarboxamide, 4-(4-aminophenoxy)-N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxy-RefChem:476488DTXCID904372263149-27-94-(4-aminophenoxy)-N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-hydroxynaphthalene-2-carboxamide4-(4-Aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-2-naphthalenecarboxamide4-(4-aminophenoxy)-N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamideKSN35MF34FSCHEMBL10638008
이름 더 보기
4-(4-Aminophenoxy)-N-[4-(2,4-di-tert-pentylphenoxy)butyl]-1-hydroxy-2-naphthamide4-(p-Aminophenoxy)-1-hydroxy-N-[4-(2,4-di-tert-pentylphenoxy)butyl]-2-naphthalenecarboxamide4-(4-aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
IRSKGCDDLMCVBY-UHFFFAOYSA-NSTK367654AKOS005444840DB-294707NS00035337ST50860144[4-(4-aminophenoxy)-1-hydroxy(2-naphthyl)]-N-{4-[2,4-bis(1,1-dimethylpropyl)ph enoxy]butyl}carboxamide4-(4-Aminophenoxy)-N-(4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)-1-hydroxynaphthalene-2-carboxamide
물성
구조 계산 물성
- XLogP
- 10.3
- 극성 표면적
- 93.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 854
물리화학적 성질
- 녹는점
- 129 · 129-130 °C
- 끓는 점
- 735.2 · 735.2±60.0 °C(Predicted)
- 밀도
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.7 · 8.70±0.50(Predicted)
- EPA
- 2 · 2-Naphthalenecarboxamide, 4-(4-aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy- (63149-27-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information2-Naphthalenecarboxamide, 4-(4-aminophenoxy)-N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-: ACTIVE
관련 반응
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