AB43265
112275-50-0 | tert-Butyl 1,4-diazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB43265
ChemicalName
tert-Butyl 1,4-diazepane-1-carboxylate
CasNumber
112275-50-0
MolecularFormula
C10H20N2O2
MolecularWeight
200.278
MdlNumber
MFCD00276987
Smiles
O=C(N1CCNCCC1)OC(C)(C)C
Complexity
199
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB43265
ChemicalName: tert-Butyl 1,4-diazepane-1-carboxylate
CasNumber: 112275-50-0
MolecularFormula: C10H20N2O2
MolecularWeight: 200.278
MdlNumber: MFCD00276987
Smiles: O=C(N1CCNCCC1)OC(C)(C)C
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB43265
ChemicalName:
tert-Butyl 1,4-diazepane-1-carboxylate
CasNumber:
112275-50-0
MolecularFormula:
C10H20N2O2
MolecularWeight:
200.278
MdlNumber:
MFCD00276987
Smiles:
O=C(N1CCNCCC1)OC(C)(C)C
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(n1ccc2c1cccc2)OC(C)(C)C
Complexity: 270
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(n1ccc2c1cccc2)OC(C)(C)C
Complexity:
270
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: AB43267
ChemicalName: 1-Bromo-2-(2-methoxyethoxy)ethane
CasNumber: 54149-17-6
MolecularFormula: C5H11BrO2
MolecularWeight: 183.0436
MdlNumber: MFCD00000238
Smiles: COCCOCCBr
Complexity: 41.4
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 0.5
CatalogNumber:
AB43267
ChemicalName:
1-Bromo-2-(2-methoxyethoxy)ethane
CasNumber:
54149-17-6
MolecularFormula:
C5H11BrO2
MolecularWeight:
183.0436
MdlNumber:
MFCD00000238
Smiles:
COCCOCCBr
Complexity:
41.4
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
0.5
CatalogNumber: AB43268
ChemicalName: 2-Bromo-1,3,5-tri-tert-butylbenzene
CasNumber: 3975-77-7
MolecularFormula: C18H29Br
MolecularWeight: 325.3269
MdlNumber: MFCD00191861
Smiles: Brc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 7.6
CatalogNumber:
AB43268
ChemicalName:
2-Bromo-1,3,5-tri-tert-butylbenzene
CasNumber:
3975-77-7
MolecularFormula:
C18H29Br
MolecularWeight:
325.3269
MdlNumber:
MFCD00191861
Smiles:
Brc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
7.6