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3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy- structure
3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy- structure

3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy-

Iupac Name:ethyl 2-(4-aminophenyl)acetate;hydrochloride
CAS No.:59235-35-7
Molecular Weight:215.67666
1. Names and Identifiers
1.1 Name
3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy-
1.2 Synonyms

31652-37-6 3h-pyrido(3,4-b)indole, 4,9-dihydro-7-methoxy- 3H-Pyrido[3,4-b]indole,4,9-dihydro-7-methoxy- 4,9-dihydro-7-methoxy-3h-pyrido(3,4b)indole 7-methoxy-3h,4h,9h-pyrido[3,4-b]indole 7-methoxy-4,9-dihydro-3h-beta-carboline 7-methoxy-4,9-dihydro-3h-pyrido[3,4-b]indole AC1L53KC AC1Q56KK bdbm50079903 cgs 19281a cgs-19281a CHEMBL6409 CTK4G7530 D0D1PE Desmethylharmaline DTXSID90185537 PL031782

1.3 CAS No.
59235-35-7
1.4 CID
24192282
1.5 Molecular Formula
C6H10N2O (isomer)
1.6 Inchi
InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)7-8-3-5-9(11)6-4-8;/h3-6H,2,7,11H2,1H3;1H
1.7 InChkey
MXLBNYJANXBQHF-UHFFFAOYSA-N
1.8 Canonical Smiles
CCOC(=O)CC1=CC=C(C=C1)N.Cl
1.9 Isomers Smiles
CCOC(=O)CC1=CC=C(C=C1)N.Cl
2. 3D Conformer
3. Properties
3.1 Boiling Point
611.3°C at 760 mmHg
3.2 Flash Point
121.2°C
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

5. Computational chemical data
  • Molecular Weight:215.67666g/mol
  • Molecular Formula:C6H10N2O
  • Exact Mass:215.071306
  • Monoisotopic Mass:215.071306
  • Complexity:162
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.3
  • Heavy Atom Count:14
  • 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:2
7. Recommended Suppliers
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Ethyl 2-(4-aminophenyl)acetate hydrochloride
  • Purity:99%Packing: 200kg/bag FOB
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  • Time: 2019/07/29
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