기본 정보
- 표준 SMILES
CCC(N)=O- InChIKey
QLNJFJADRCOGBJ-UHFFFAOYSA-N- 분자식
- C3H7NO
- 평균 분자량
- 73.09 g/mol
- 단동위원소 질량
- 73.05276385
이름 및 식별자
- 우선 이름
- Propionamide
- IUPAC
- propanamide
- 현지명
- 프로피온아미드
- 영어명
- Propionamide
- 분자식
- C3H7NO
- 분자량
- 73.09
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
79-05-0- PubChem CID
- 6578
- DTXSID
DTXSID3058820- ChEMBL
CHEMBL1235716- ChEBI
CHEBI:45422- UNII
- QK07G0HP47
- EC Number
- 201-172-1
- Nikkaji
- J22.070A
물성
구조 계산 물성
- XLogP
- -0.7
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 5
- 형식 전하
- 0
- 복잡도
- 42
실험 및 물리화학적 성질
Kovats Retention Index
984
1822;1792;1801;1821;1807
물리화학적 성질
- 녹는점
- 76 · 76-79 °C (lit.)
- 끓는 점
- 213 °C · 213 °C (lit.)
- 밀도
- 1.042 g/mL · 1.042 g/mL at 25 °C (lit.)
- 증기압
- 1.06 Pa · 1.06Pa at 25℃
- 굴절률
- 110 · nD110 1.4160
- 인화점
- 213 °C · 213°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 쉽게 용해됨
- 물리적 상태
- 결정성 분말
- 산도 계수 (pKa)
- 16.6 · 16.60±0.40(Predicted)
- Specific Gravity
- 1.042 · 1.042
- 색상
- 흰색에서 약간 노란색
- 수용성
- 녹는
- Merck
- 14 · 14,7824
- Henry's Law Constant
- 3.3 · 3.3×103 mol/(m3Pa) at 25℃, Plyasunov et al. (2001)
- InChI
- 1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
- InChIKey
- QLNJFJADRCOGBJ-UHFFFAOYSA-N
- SMILES
- CCC(N)=O
- LogP
- -0.7 at · -0.7 at 23℃
- NIST
- Propanamide(79-05-0)
- EPA
- Propanamide (79-05-0)
화학적 성질
white to slightly yellow crystalline powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (83.3%): Harmful if swallowed [Warning Acute toxicity, oral];H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Chemical: Propanamide
Status: Active Update: 09-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30038
Propanamide: Does not have an individual approval but may be used under an appropriate group standard
독성 정보
규제 정보
Regulatory Information
Chemical: Propanamide
Status: Active Update: 09-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/30038
Propanamide: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- UE2975000
- HS 번호
- 29241900
- risk_code
- 22-36/37/38
- hazard_code
- Xn
- safety_code
- 24/25-36/37/39-26-37/39
- Hazard Classifications
- Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
응용 분야
용도Propionamide was used as adsorbent in the determination of adsorption isotherms of acetamide and propionamide on multi-wall carbon nanotube. It was used in a robust screening method to study biotransformations using (+)-γ-lactamase enzyme.
일반 설명Propionamide on γ-irradiation reacts with sulfur dioxide and this reaction has been studied by ESR spectroscopy, gas absorption measurements and X-ray diffraction.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
추가 설명
정의ChEBI: A monocarboxylic acid amide obtained by the formal condensation of propionic acid with ammonia.
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