AB48015
869494-16-6 | tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB48015
ChemicalName
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CasNumber
869494-16-6
MolecularFormula
C10H18N2O2
MolecularWeight
198.2621
MdlNumber
MFCD17016736
Smiles
O=C(N1C2CNCC1C2)OC(C)(C)C
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
2
Xlogp3
0.7
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CatalogNumber: AB48015
ChemicalName: tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CasNumber: 869494-16-6
MolecularFormula: C10H18N2O2
MolecularWeight: 198.2621
MdlNumber: MFCD17016736
Smiles: O=C(N1C2CNCC1C2)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.7
CatalogNumber:
AB48015
ChemicalName:
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CasNumber:
869494-16-6
MolecularFormula:
C10H18N2O2
MolecularWeight:
198.2621
MdlNumber:
MFCD17016736
Smiles:
O=C(N1C2CNCC1C2)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.7
CatalogNumber: AB48016
ChemicalName: N-Boc-1,2,3,6-tetrahydropyridine
CasNumber: 85838-94-4
MolecularFormula: C10H17NO2
MolecularWeight: 183.2475
MdlNumber: MFCD04972245
Smiles: O=C(N1CCC=CC1)OC(C)(C)C
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AB48016
ChemicalName:
N-Boc-1,2,3,6-tetrahydropyridine
CasNumber:
85838-94-4
MolecularFormula:
C10H17NO2
MolecularWeight:
183.2475
MdlNumber:
MFCD04972245
Smiles:
O=C(N1CCC=CC1)OC(C)(C)C
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: AB48017
ChemicalName: 7-Bromobenzo[d]oxazol-2(3h)-one
CasNumber: 871367-14-5
MolecularFormula: C7H4BrNO2
MolecularWeight: 214.0162
MdlNumber: MFCD11111731
Smiles: O=c1oc2c([nH]1)cccc2Br
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.8
CatalogNumber:
AB48017
ChemicalName:
7-Bromobenzo[d]oxazol-2(3h)-one
CasNumber:
871367-14-5
MolecularFormula:
C7H4BrNO2
MolecularWeight:
214.0162
MdlNumber:
MFCD11111731
Smiles:
O=c1oc2c([nH]1)cccc2Br
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.8
CatalogNumber: AB48018
ChemicalName: 2-Methyl-5-(pyrrolidin-1-ylsulfonyl)phenylboronic acid
CasNumber: 871333-01-6
MolecularFormula: C11H16BNO4S
MolecularWeight: 269.125
MdlNumber: MFCD08056365
Smiles: OB(c1cc(ccc1C)S(=O)(=O)N1CCCC1)O
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB48018
ChemicalName:
2-Methyl-5-(pyrrolidin-1-ylsulfonyl)phenylboronic acid
CasNumber:
871333-01-6
MolecularFormula:
C11H16BNO4S
MolecularWeight:
269.125
MdlNumber:
MFCD08056365
Smiles:
OB(c1cc(ccc1C)S(=O)(=O)N1CCCC1)O
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
__