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40431-47-8 | 2-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole-8-carbohydrazide hydrochloride(1:1)
CAS No: 40431-47-8 Catalog No: AG0072X2 MDL No:
Product Description
Catalog Number:
AG0072X2
Chemical Name:
2-methyl-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole-8-carbohydrazide hydrochloride(1:1)
CAS Number:
40431-47-8
Molecular Formula:
C13H17ClN4O
Molecular Weight:
280.7533
IUPAC Name:
2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carbohydrazide;hydrochloride
InChI:
InChI=1S/C13H16N4O.ClH/c1-17-5-4-12-10(7-17)9-6-8(13(18)16-14)2-3-11(9)15-12;/h2-3,6,15H,4-5,7,14H2,1H3,(H,16,18);1H
InChI Key:
KCLOKJGLYIPHEP-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc2c(c1)c1CN(C)CCc1[nH]2.Cl
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.109g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
280.756g/mol
Monoisotopic Mass:
280.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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