로맹

: IUPAC이름：N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide; CAS 레지스트리 번호: 26844-12-2; 분자량：347.4534

1. 이름 및 식별자

: 1.1 제품명; 로맹; 1.2 동의어; 3-[2-(4-benzamido-1-piperidyl)ethyl]indole 3-[2-(4-benzamidopiperid-1-yl)ethyl]indole 3-indol Benzamide, N-[1-[2-(1H-indol-3-yl)ethyl]-4-piperidinyl]- Benzamide,N-(1-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl) EINECS 248-041-5 Indoramin USP/EP/BP Indoramina [INN-Spanish] Indoramine Indoramine [INN-French] Indoraminum [INN-Latin] N-[1-(2-indol-3-yl-ethyl)-piperidin-4-yl]-benzamide N-[1-[2-(1H-Indol-3-yl)ethyl]piperidin-4-yl]benzamide Wy-21901; 모두 보기

1.7 Inchi: InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)

2. 속성

3. 보안 및 처리

4. MSDS 정보

Acute toxicity - Oral, Category 4

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth.
Storage	none
Disposal	P501 Dispose of contents/container to ...

none

5. 화학 데이터 계산

분자량: 347.4534g/mol
분자식: C₂₂H₂₅N₃O
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 347.199762429
Monoisotopic Mass: 347.199762429
Complexity: 454
Rotatable Bond Count: 5
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 48.1
Heavy Atom Count: 26
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADCjBngQ8wPPJkACoAzV3VACCgCA1AiAI2aE4ZNgIIPLA1ZGEIQhglgDIyYcYiMCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==