4-히드록실아미노-2,6-디니트로톨루엔
4-Hydroxylamino-2,6-dinitrotoluene
기본 정보
- CAS
59283-75-9- 표준 SMILES
Cc1c([N+](=O)[O-])cc(NO)cc1[N+](=O)[O-]- InChIKey
HTTDEAQRSCMCQS-UHFFFAOYSA-N- 분자식
- C7H7N3O5
- 평균 분자량
- 213.15 g/mol
- 단동위원소 질량
- 213.03857033
개요
4-hydroxylamino-2,6-dinitrotoluene is a member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4. It has a role as a xenobiotic metabolite. It is a member of hydroxylamines and a nitrotoluene.
이름 및 식별자
- 우선 이름
- 4-Hydroxylamino-2,6-dinitrotoluene
- IUPAC
- N-(4-methyl-3,5-dinitrophenyl)hydroxylamine
- 현지명
- 4-히드록실아미노-2,6-디니트로톨루엔
- 영어명
- 4-hydroxylamino-2,6-dinitrotoluene
- 분자식
- C7H7N3O5
- 분자량
- 213.15
이름 및 동의어
4-Hydroxylamino-2,6-dinitrotoluene4-Hadnt59283-75-9CHEBI:20408DTXSID60208005RefChem:99331DTXCID40130496N-(4-Methyl-3,5-dinitrophenyl)hydroxylamine4-hydroxyamino-2,6-dinitrotolueneBenzenamine, N-hydroxy-4-methyl-3,5-dinitro-CCRIS 8608SCHEMBL1230627
이름 더 보기
4-히드록실아미노-2,6-디니트로톨루엔4-Hydroxylamino-2,[email protected] mg/mL in AcCN
2,6-dinitro-4-hydroxylaminotolueneN-Hydroxy-4-methyl-3,5-dinitroaniline4-hydroxyamino-1-methyl-2,6-dinitrobenzeneDB-2953754-Hydroxylamino-1-methyl-2,6-dinitrobenzeneN-(4-Methyl-3,5,-dinitro-phenyl)-hydroxylamineN-(4-Methyl-3,5-dinitrophenyl)hydroxylamine #Q27109297
데이터베이스 식별자
- CAS
59283-75-9- PubChem CID
- 5375469
- DTXSID
DTXSID60208005- ChEBI
CHEBI:20408- Nikkaji
- J652.388I
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 236
물리화학적 성질
- 녹는점
- 135 · 135-136 °C
- 끓는 점
- 343.8 · 343.8±52.0 °C(Predicted)
- 밀도
- 1.641 · 1.641±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.49 · 7.49±0.70(Predicted)
화학 및 산업
추가 설명
정의ChEBI: A member of the class of nitrotoluenes that is 2,6-dinitrotoluene bearing an additional hydroxylamino substituent at position 4.
관련 반응
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