Cyclohexylhydroxylamine

HCID 72935CAS 2211-64-5

기본 정보

표준 SMILES: ONC1CCCCC1
InChIKey: GUQRKZPMVLRXLT-UHFFFAOYSA-N
분자식: C6H13NO
평균 분자량: 115.17 g/mol
단동위원소 질량: 115.09971404

이름 및 식별자

우선 이름: Cyclohexylhydroxylamine
IUPAC: N-cyclohexylhydroxylamine
영어명: N-CYCLOHEXYLHYDROXYLAMINE
분자식: C6H13NO
분자량: 115.17

이름 및 동의어

2211-64-5N-HydroxycyclohexylamineCyclohexylhydroxylamine722GHL96BJDTXSID90176627RefChem:163537DTXCID4099118218-650-0N-CyclohexylhydroxylamineN-HydroxycyclohexanamineCyclohexanamine, N-hydroxy-MFCD00021287

이름 더 보기

HydroxyaminocyclohexaneN-CYCLOHEXYHYDROXYLAMINEn-cyclohexyl-hydroxylaminCyclohexylhydroxylamine (CyHHA)

Hydroxylamine, N-cyclohexyl-N-cyclohexyl-hydroxylamineEINECS 218-650-0BRN 0605426UNII-722GHL96BJSCHEMBL243510SCHEMBL3185337SCHEMBL7458103

데이터베이스 식별자

CAS: 2211-64-5
PubChem CID: 72935
DTXSID: DTXSID90176627
UNII: 722GHL96BJ
EC Number: 218-650-0
Nikkaji: J3.389H

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 32.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 59

물리화학적 성질

녹는점: 139 · 139-140 °C(lit.)
끓는 점: 215.49 °C · 215.49°C (rough estimate)
밀도: 0.9837 · 0.9837 (rough estimate)
굴절률: 1.469 · 1.4690 (estimate)
저장 조건: -20 °C · -20°C
산도 계수 (pKa): 14.14 · 14.14±0.20(Predicted)
물리적 상태: solid
InChI: 1S/C6H13NO/c8-7-6-4-2-1-3-5-6/h6-8H,1-5H2
InChIKey: GUQRKZPMVLRXLT-UHFFFAOYSA-N
SMILES: ONC1CCCCC1

안전 및 규제

안전 데이터

wgk: 2
rtecs: NC3410400
HS 번호: 2928009090
risk_code: 22-41
hazard_code: Xn
safety_code: 26-39
기존화학 물질: KE-09242
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도N-Cyclohexylhydroxylamine is a reactant for:Aldehyde-catalyzed intermolecular hydroamination1• ;Condensation reactions2• ;Preparation of cyclin-dependent kinase inhibitors selective for multiple cyclin-dependent kinases for potential use as antitumor agents3• ;Preparation of hydroxyurea derivatives as small molecule bradykinin B1 receptor antagonists.

일반 설명N-Cyclohexylhydroxylamine is formed as one of the by-products during the hydrogenation of nitrocyclohexane to the corresponding cyclohexanone oxime catalyzed by palladium/carbon nanotubes.