AB63400
33918-15-9 | 3-(Isopropylamino)propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AB63400
ChemicalName
3-(Isopropylamino)propan-1-ol
CasNumber
33918-15-9
MolecularFormula
C6H15NO
MolecularWeight
117.1894
MdlNumber
MFCD00483086
Smiles
OCCCNC(C)C
Complexity
45.8
Covalently-bondedUnitCount
1
HeavyAtomCount
8
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.3
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CatalogNumber: AB63400
ChemicalName: 3-(Isopropylamino)propan-1-ol
CasNumber: 33918-15-9
MolecularFormula: C6H15NO
MolecularWeight: 117.1894
MdlNumber: MFCD00483086
Smiles: OCCCNC(C)C
Complexity: 45.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.3
CatalogNumber:
AB63400
ChemicalName:
3-(Isopropylamino)propan-1-ol
CasNumber:
33918-15-9
MolecularFormula:
C6H15NO
MolecularWeight:
117.1894
MdlNumber:
MFCD00483086
Smiles:
OCCCNC(C)C
Complexity:
45.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Complexity: 420
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
Complexity:
420
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63402
ChemicalName: 3-(Methanesulfonylamino)benzonitrile
CasNumber: 50790-30-2
MolecularFormula: C8H8N2O2S
MolecularWeight: 196.2263
MdlNumber: MFCD00116199
Smiles: N#Cc1cccc(c1)NS(=O)(=O)C
Complexity: 309
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB63402
ChemicalName:
3-(Methanesulfonylamino)benzonitrile
CasNumber:
50790-30-2
MolecularFormula:
C8H8N2O2S
MolecularWeight:
196.2263
MdlNumber:
MFCD00116199
Smiles:
N#Cc1cccc(c1)NS(=O)(=O)C
Complexity:
309
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AB63403
ChemicalName: 3-(Methoxycarbonyl)-4-nitrobenzoic acid
CasNumber: 64152-09-6
MolecularFormula: C9H7NO6
MolecularWeight: 225.155
MdlNumber: MFCD09026978
Smiles: COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AB63403
ChemicalName:
3-(Methoxycarbonyl)-4-nitrobenzoic acid
CasNumber:
64152-09-6
MolecularFormula:
C9H7NO6
MolecularWeight:
225.155
MdlNumber:
MFCD09026978
Smiles:
COC(=O)c1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2