AG80333
622867-52-1 | tert-Butyl 6-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1h)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG80333
ChemicalName
tert-Butyl 6-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1h)-carboxylate
CasNumber
622867-52-1
MolecularFormula
C15H21NO3
MolecularWeight
263.3321
MdlNumber
MFCD12408124
Smiles
OCc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AG80333
ChemicalName: tert-Butyl 6-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1h)-carboxylate
CasNumber: 622867-52-1
MolecularFormula: C15H21NO3
MolecularWeight: 263.3321
MdlNumber: MFCD12408124
Smiles: OCc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AG80333
ChemicalName:
tert-Butyl 6-(hydroxymethyl)-3,4-dihydroisoquinoline-2(1h)-carboxylate
CasNumber:
622867-52-1
MolecularFormula:
C15H21NO3
MolecularWeight:
263.3321
MdlNumber:
MFCD12408124
Smiles:
OCc1ccc2c(c1)CCN(C2)C(=O)OC(C)(C)C
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: AG80334
ChemicalName: tert-Butyl n-methoxycarbamate
CasNumber: 58377-44-9
MolecularFormula: C6H13NO3
MolecularWeight: 147.1723
MdlNumber: MFCD21140572
Smiles: CONC(=O)OC(C)(C)C
Complexity: 117
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AG80334
ChemicalName:
tert-Butyl n-methoxycarbamate
CasNumber:
58377-44-9
MolecularFormula:
C6H13NO3
MolecularWeight:
147.1723
MdlNumber:
MFCD21140572
Smiles:
CONC(=O)OC(C)(C)C
Complexity:
117
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc2c(c1)c(Cl)ncn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc2c(c1)c(Cl)ncn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1sc(c(c1)Br)Br
Complexity: 90.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1sc(c(c1)Br)Br
Complexity:
90.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3