O-tert-butylhydroxylamine hydrochloride

HCID 2777906CAS 39684-28-1

기본 정보

표준 SMILES: CC(C)(C)ON.Cl
InChIKey: ZBDXGNXNXXPKJI-UHFFFAOYSA-N
분자식: C4H12ClNO
평균 분자량: 125.6 g/mol
단동위원소 질량: 125.06074168

이름 및 식별자

우선 이름: O-tert-butylhydroxylamine hydrochloride
IUPAC: O-tert-butylhydroxylamine;hydrochloride
영어명: O-tert-Butylhydroxylamine hydrochloride
분자식: C4H12ClNO
분자량: 125.6

이름 및 동의어

39684-28-1O-tert-Butylhydroxylamine hydrochlorideO-tert-Butylhydroxylamine HClEINECS 254-590-1DTXSID40192776RefChem:855326DTXCID80115267254-590-1O-(tert-Butyl)hydroxylamine hydrochlorideO-tert-butylhydroxylamine;hydrochloridetert-butoxyamine hydrochlorideMFCD00043272

이름 더 보기

O-(tert-Butyl)LABOTEST-BB LT00233214O-Tert-ButylhydroxylamineHClO-tert-butylhydroxyaminehydrochlorideO-(tert-Butyl)hydroxylamine hydrochloride,99%O-(tert-Butyl)hydroxylamine hydrochloride 98%

O-t-Butylhydroxylamine hydrochlorideHydroxylamine, O-(1,1-dimethylethyl)-, hydrochloride2-Aminooxy-2-methylpropane hydrochlorideO-tertbutylhydroxylamine hydrochlorideO-tert-butyl-hydroxylamine hydrochlorideBP-13192O-(1,1-Dimethylethyl)hydroxylamine hydrochlorideo-(tert-butyl)hydroxylaminehydrochloride

데이터베이스 식별자

CAS: 39684-28-1
PubChem CID: 2777906
DTXSID: DTXSID40192776
UNII: SGG3WH3XTX
EC Number: 254-590-1

물성

구조 계산 물성

극성 표면적: 35.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 37.3

물리화학적 성질

녹는점: 158 · 158-159 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
용해도: 2 O: · H2O: 용해성0.5g/10mL
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
수용성: 2 O: · H2O: soluble 0.5g/10 mL
BRN: 3668106 · 3668106
InChI: InChI=1S/C4H11NO.ClH/c1-4(2,3)6-5;/h5H2,1-3H3;1H
InChIKey: ZBDXGNXNXXPKJI-UHFFFAOYSA-N
SMILES: C(C)(C)(C)ON.Cl

화학적 성질

White crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (98.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)

Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 2 (98.6%)

안전 데이터

wgk: 3
ridadr: UN 1325 4.1/PG 3
HS 번호: 29280090
risk_code: 11
hazard_code: F
포장분류: Ⅲ
위험 등급: 4.1
F 고인화성물질: 10
Hazard Classifications: Flam. Sol. 2
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야 · 1건

용도O-tert-Butylhydroxylamine Hydrochloride is an reactant used in various synthesis of biologically active molecules such as camptothecin derivatives that exerts anti-tumor activity, oxime derivatives as GPR119 agonists and their preparation and highly Potent Matrix Metalloproteinase Inhibitors.