AB44718
42042-71-7 | 4-(Isopropylamino)butanol
Manufacturer: A2B Chem
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CatalogNumber
AB44718
ChemicalName
4-(Isopropylamino)butanol
CasNumber
42042-71-7
MolecularFormula
C7H17NO
MolecularWeight
131.216
MdlNumber
MFCD14708173
Smiles
OCCCCNC(C)C
Complexity
54.9
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
0.6
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CatalogNumber: AB44718
ChemicalName: 4-(Isopropylamino)butanol
CasNumber: 42042-71-7
MolecularFormula: C7H17NO
MolecularWeight: 131.216
MdlNumber: MFCD14708173
Smiles: OCCCCNC(C)C
Complexity: 54.9
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 0.6
CatalogNumber:
AB44718
ChemicalName:
4-(Isopropylamino)butanol
CasNumber:
42042-71-7
MolecularFormula:
C7H17NO
MolecularWeight:
131.216
MdlNumber:
MFCD14708173
Smiles:
OCCCCNC(C)C
Complexity:
54.9
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
0.6
CatalogNumber: AB44719
ChemicalName: 4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
CasNumber: 18720-35-9
MolecularFormula: C11H16O4
MolecularWeight: 212.2423
MdlNumber: MFCD18459359
Smiles: COC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AB44719
ChemicalName:
4-(Methoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
CasNumber:
18720-35-9
MolecularFormula:
C11H16O4
MolecularWeight:
212.2423
MdlNumber:
MFCD18459359
Smiles:
COC(=O)C12CCC(CC1)(CC2)C(=O)O
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1nc(SC)ncc1C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1nc(SC)ncc1C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNc1ccc(cc1)C(=O)O
Complexity: 139
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNc1ccc(cc1)C(=O)O
Complexity:
139
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2