AG20946
50411-26-2 | 1-Amino-3-phenylpropan-2-ol
Manufacturer: A2B Chem
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CatalogNumber
AG20946
ChemicalName
1-Amino-3-phenylpropan-2-ol
CasNumber
50411-26-2
MolecularFormula
C9H13NO
MolecularWeight
151.2056
MdlNumber
MFCD03840182
Smiles
NCC(Cc1ccccc1)O
Complexity
99.7
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AG20946
ChemicalName: 1-Amino-3-phenylpropan-2-ol
CasNumber: 50411-26-2
MolecularFormula: C9H13NO
MolecularWeight: 151.2056
MdlNumber: MFCD03840182
Smiles: NCC(Cc1ccccc1)O
Complexity: 99.7
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AG20946
ChemicalName:
1-Amino-3-phenylpropan-2-ol
CasNumber:
50411-26-2
MolecularFormula:
C9H13NO
MolecularWeight:
151.2056
MdlNumber:
MFCD03840182
Smiles:
NCC(Cc1ccccc1)O
Complexity:
99.7
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: AG20947
ChemicalName: 3-(Propionyloxy)benzoic acid
CasNumber: 51988-36-4
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD20652409
Smiles: CCC(=O)Oc1cccc(c1)C(=O)O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
AG20947
ChemicalName:
3-(Propionyloxy)benzoic acid
CasNumber:
51988-36-4
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD20652409
Smiles:
CCC(=O)Oc1cccc(c1)C(=O)O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1cc2c([nH]1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1cc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCN2[C@H](C1)c1ccccc1CC2.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCN2[C@H](C1)c1ccccc1CC2.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__