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6678-82-6

6678-82-6 | 1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride

CAS No: 6678-82-6 Catalog No: AG019VYY MDL No:MFCD00238593

Product Description

Catalog Number:
AG019VYY
Chemical Name:
1-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole hydrochloride
CAS Number:
6678-82-6
Molecular Formula:
C12H15ClN2
Molecular Weight:
222.7139
MDL Number:
MFCD00238593
IUPAC Name:
1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
InChI:
InChI=1S/C12H14N2.ClH/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12;/h2-5,8,13-14H,6-7H2,1H3;1H
InChI Key:
CWQORCGWGWEVEL-UHFFFAOYSA-N
SMILES:
CC1NCCc2c1[nH]c1c2cccc1.Cl

Properties

Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.092g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
222.716g/mol
Monoisotopic Mass:
222.092g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
27.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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