CAS
935534-22-8 Purity
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935534-22-8 Purity
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tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate
CAS
935534-31-9
Catalog Number
ACM935534319
Category
Other Products
Molecular Weight
278.346780 [g/mol]
Molecular Formula
C15H22N2O3
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Specification
Synonyms
tert-butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate, 935534-31-9
IUPAC Name
tert-butyl 7-amino-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
InChI Key
VAANHXPGGUAFIN-UHFFFAOYSA-N
Exact Mass
278.16300
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular formula is C15H22N2O3.
What is the molecular weight of tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The molecular weight is 278.35 g/mol.
What is the IUPAC name of tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The IUPAC name is tert-butyl 7-amino-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate.
What is the InChI of tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-14(18)17-6-5-10-8-13(19-4)12(16)7-11(10)9-17/h7-8H,5-6,9,16H2,1-4H3.
What is the InChIKey of tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The InChIKey is VAANHXPGGUAFIN-UHFFFAOYSA-N.
What is the canonical SMILES of tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The canonical SMILES is CC(C)(C)OC(=O)N1CCC2=CC(=C(C=C2C1)N)OC.
What is the CAS number of tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The CAS number is 935534-31-9.
What is the XLogP3-AA value for tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate?
The XLogP3-AA value is 1.9.
How many hydrogen bond acceptors does tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate have?
It has 4 hydrogen bond acceptors.
Is tert-Butyl 7-amino-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate a canonicalized compound?
Yes, it is a canonicalized compound.
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