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1423024-04-7 | N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
CAS No: 1423024-04-7 Catalog No: AG01A2IN MDL No:MFCD22578601
Product Description
Catalog Number:
AG01A2IN
Chemical Name:
N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide hydrochloride
CAS Number:
1423024-04-7
Molecular Formula:
C16H23ClN2O2
Molecular Weight:
310.8190
MDL Number:
MFCD22578601
IUPAC Name:
N-methyl-N-(oxan-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
InChI:
InChI=1S/C16H22N2O2.ClH/c1-18(14-6-8-20-9-7-14)16(19)15-10-12-4-2-3-5-13(12)11-17-15;/h2-5,14-15,17H,6-11H2,1H3;1H
InChI Key:
VXYVIIFIWFLFHM-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCOCC1)C)C1NCc2c(C1)cccc2.Cl
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.145g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.822g/mol
Monoisotopic Mass:
310.145g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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