AC75889
97988-45-9 | (R)-3-Isopropylamino-1,2-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AC75889
ChemicalName
(R)-3-Isopropylamino-1,2-propanediol
CasNumber
97988-45-9
MolecularFormula
C6H15NO2
MolecularWeight
133.1888
MdlNumber
MFCD00237128
Smiles
OC[C@@H](CNC(C)C)O
Complexity
66.1
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
4
Xlogp3
-0.7
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CatalogNumber: AC75889
ChemicalName: (R)-3-Isopropylamino-1,2-propanediol
CasNumber: 97988-45-9
MolecularFormula: C6H15NO2
MolecularWeight: 133.1888
MdlNumber: MFCD00237128
Smiles: OC[C@@H](CNC(C)C)O
Complexity: 66.1
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: -0.7
CatalogNumber:
AC75889
ChemicalName:
(R)-3-Isopropylamino-1,2-propanediol
CasNumber:
97988-45-9
MolecularFormula:
C6H15NO2
MolecularWeight:
133.1888
MdlNumber:
MFCD00237128
Smiles:
OC[C@@H](CNC(C)C)O
Complexity:
66.1
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(OC)OC
Complexity: 36.7
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(OC)OC
Complexity:
36.7
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1nc(Nc2ccc(cc2)c2nc3c(s2)c(c(cc3)C)S(=O)(=O)[O-])nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1nc(Nc2ccc(cc2)c2nc3c(s2)c(c(cc3)C)S(=O)(=O)[O-])nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])N=Nc1ccccc1C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC=NC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC=NC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__