AB68556
40447-21-0 | 5-(Isopropylamino)pentanol
Manufacturer: A2B Chem
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CatalogNumber
AB68556
ChemicalName
5-(Isopropylamino)pentanol
CasNumber
40447-21-0
MolecularFormula
C8H19NO
MolecularWeight
145.2426
MdlNumber
MFCD14708174
Smiles
OCCCCCNC(C)C
Complexity
64.3
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
1
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CatalogNumber: AB68556
ChemicalName: 5-(Isopropylamino)pentanol
CasNumber: 40447-21-0
MolecularFormula: C8H19NO
MolecularWeight: 145.2426
MdlNumber: MFCD14708174
Smiles: OCCCCCNC(C)C
Complexity: 64.3
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 1
CatalogNumber:
AB68556
ChemicalName:
5-(Isopropylamino)pentanol
CasNumber:
40447-21-0
MolecularFormula:
C8H19NO
MolecularWeight:
145.2426
MdlNumber:
MFCD14708174
Smiles:
OCCCCCNC(C)C
Complexity:
64.3
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
1
CatalogNumber: AB68557
ChemicalName: 5-Methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CasNumber: 74936-72-4
MolecularFormula: C16H16N2O6
MolecularWeight: 332.308
MdlNumber: MFCD00475478
Smiles: COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB68557
ChemicalName:
5-Methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
CasNumber:
74936-72-4
MolecularFormula:
C16H16N2O6
MolecularWeight:
332.308
MdlNumber:
MFCD00475478
Smiles:
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB68558
ChemicalName: 5-(Methoxycarbonyl)-2-nitrobenzoic acid
CasNumber: 76143-33-4
MolecularFormula: C9H7NO6
MolecularWeight: 225.155
MdlNumber: MFCD08690063
Smiles: COC(=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB68558
ChemicalName:
5-(Methoxycarbonyl)-2-nitrobenzoic acid
CasNumber:
76143-33-4
MolecularFormula:
C9H7NO6
MolecularWeight:
225.155
MdlNumber:
MFCD08690063
Smiles:
COC(=O)c1ccc(c(c1)C(=O)O)[N+](=O)[O-]
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AB68559
ChemicalName: 5-(Methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester
CasNumber: 676501-89-6
MolecularFormula: C12H18BNO4
MolecularWeight: 251.0866
MdlNumber: MFCD11855971
Smiles: COC(=O)c1ccc([nH]1)B1OC(C(O1)(C)C)(C)C
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB68559
ChemicalName:
5-(Methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester
CasNumber:
676501-89-6
MolecularFormula:
C12H18BNO4
MolecularWeight:
251.0866
MdlNumber:
MFCD11855971
Smiles:
COC(=O)c1ccc([nH]1)B1OC(C(O1)(C)C)(C)C
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
__