기본 정보
- 표준 SMILES
CC(C)NO- InChIKey
ODHYIQOBTIWVRZ-UHFFFAOYSA-N- 분자식
- C3H9NO
- 평균 분자량
- 75.11 g/mol
- 단동위원소 질량
- 75.06841391
이름 및 식별자
- 우선 이름
- Isopropylhydroxylamine
- IUPAC
- N-propan-2-ylhydroxylamine
- 영어명
- N-Isopropylhydroxylamine
- 분자식
- C3H9NO
- 분자량
- 75.11
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
5080-22-8- PubChem CID
- 78763
- DTXSID
DTXSID6063694- ChEMBL
CHEMBL140282- UNII
- 3NT440V34T
- EC Number
- 225-791-1
- Nikkaji
- J203.284H
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 32.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 20.9
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 159 · 159-160 °C (dec.)
- 끓는 점
- 104.9 · 104.9±23.0 °C(Predicted)
- 밀도
- 0.886 · 0.886±0.06 g/cm3(Predicted)
- 증기압
- 68 Pa · 68Pa at 25℃
- 산도 계수 (pKa)
- 14.14 · 14.14±0.50(Predicted)
- 수용성
- 199 g/L · 199g/L at 25℃
- InChI
- InChI=1S/C3H9NO/c1-3(2)4-5/h3-5H,1-2H3
- InChIKey
- ODHYIQOBTIWVRZ-UHFFFAOYSA-N
- SMILES
- CC(NO)C
- LogP
- -0.574 at · -0.574 at 23℃
- EPA
- 2 · 2-Propanamine, N-hydroxy- (5080-22-8)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.3% (3 of 129) of reports.
Warning
H312 (28.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P317, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 129 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2-Propanamine, N-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, N-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 06-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12650
2-Propanamine, N-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
안전 데이터
- tsca
- TSCA listed
- risk_code
- 21/22
- hazard_code
- Xn
- safety_code
- 24/25
- 기존화학 물질
- KE-21703
화학 및 산업
용도 및 제조
General Manufacturing Information
Synthetic Rubber Manufacturing
2-Propanamine, N-hydroxy-: ACTIVE
응용 분야
용도N-Isopropylhydroxylamine is used in preparation method of Methylstyrene Butadiene rubber.
상·하류 제품 정보
하류 제품
공급사50 곳
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