기본 정보
- CAS
405873-05-4- 표준 SMILES
C[C@H](CC=O)c1cn(C)c2ccccc12- InChIKey
OQWWHYBHQFZHLP-SNVBAGLBSA-N- 분자식
- C13H15NO
- 평균 분자량
- 201.26 g/mol
- 단동위원소 질량
- 201.1153641
이름 및 식별자
- 우선 이름
- (3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde
- IUPAC
- (3R)-3-(1-methylindol-3-yl)butanal
- 영어명
- (3R)-(-)-3-(1-METHYL-1H-INDOL-3-YL)-1-BUTYRALDEHYDE
- 분자식
- C13H15NO
- 분자량
- 201.26
이름 및 동의어
405873-05-4(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehydeDTXSID70432531RefChem:208013DTXCID90383359(3R)-3-(1-methylindol-3-yl)butanal(R)-3-(1-methyl-1h-indol-3-yl)butanal(3R)-(-)-3-(1-METHYL-1H-INDOL-3-YL)-1-BUTYRALDEHYDE(3R)-3-(1-Methyl-1H-indol-3-yl)butanal(3R)-()-3-(1-Methyl-1H-indol-3-yl)butyraldehydeSCHEMBL6655804OQWWHYBHQFZHLP-SNVBAGLBSA-N
이름 더 보기
(3R)-(−(R)-3-(1-METHYL-1H-INDOL-3-YL)-BUTANAL)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde1H-Indole-3-propanal, β,1-dimethyl-, (βR)-(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde 98%(3R)-(?)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde
AKOS017343753(3R)-(-)-3-(1-Methyl-1H-indol-3-yl)butyraldehyde, 98%
데이터베이스 식별자
- CAS
405873-05-4- PubChem CID
- 9899133
- DTXSID
DTXSID70432531- EC Number
- 693-598-3
- Nikkaji
- J1.684.366K
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 22 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 229
물리화학적 성질
- 녹는점
- 55.5 · 55.5-59.5 °C (lit.)
- InChI
- 1S/C13H15NO/c1-10(7-8-15)12-9-14(2)13-6-4-3-5-11(12)13/h3-6,8-10H,7H2,1-2H3/t10-/m1/s1
- InChIKey
- OQWWHYBHQFZHLP-SNVBAGLBSA-N
- SMILES
- C[C@H](CC=O)c1cn(C)c2ccccc12
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 22-37/38-41-42/43-36/37/38-25
- hazard_code
- Xn,T
- safety_code
- 26-36-45
- Hazard Classifications
- Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도(3R)-()-3-(1-Methyl-1H-indol-3-yl)butyraldehyde can be used as a substrate in the synthesis of 2-alkyl cyclohexanone intermediates, applicable in the preparation of tricyclic steroid precursors.
공급사3 곳
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
관련 반응
2건
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