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Home > Indoles and Oxindole > 647825-16-9
647825-16-9 | Carbamic acid, diethyl-, 9H-pyrido[3,4-b]indol-1-ylmethyl ester
CAS No: 647825-16-9 Catalog No: AG00H72W MDL No:
Product Description
Catalog Number:
AG00H72W
Chemical Name:
Carbamic acid, diethyl-, 9H-pyrido[3,4-b]indol-1-ylmethyl ester
CAS Number:
647825-16-9
Molecular Formula:
C17H19N3O2
Molecular Weight:
297.3517
IUPAC Name:
9H-pyrido[3,4-b]indol-1-ylmethyl N,N-diethylcarbamate
InChI:
InChI=1S/C17H19N3O2/c1-3-20(4-2)17(21)22-11-15-16-13(9-10-18-15)12-7-5-6-8-14(12)19-16/h5-10,19H,3-4,11H2,1-2H3
InChI Key:
BDKQZUKWCYMPSV-UHFFFAOYSA-N
SMILES:
CCN(C(=O)OCc1nccc2c1[nH]c1c2cccc1)CC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.358g/mol
Monoisotopic Mass:
297.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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