AV18556
80662-80-2 | 3-[Benzyl-(2-hydroxy-propyl)-amino]-propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AV18556
ChemicalName
3-[Benzyl-(2-hydroxy-propyl)-amino]-propan-1-ol
CasNumber
80662-80-2
MolecularFormula
C13H21NO2
MolecularWeight
223.3113
MdlNumber
MFCD30185874
Smiles
OCCCN(Cc1ccccc1)CC(O)C
Complexity
169
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
1.2
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CatalogNumber: AV18556
ChemicalName: 3-[Benzyl-(2-hydroxy-propyl)-amino]-propan-1-ol
CasNumber: 80662-80-2
MolecularFormula: C13H21NO2
MolecularWeight: 223.3113
MdlNumber: MFCD30185874
Smiles: OCCCN(Cc1ccccc1)CC(O)C
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.2
CatalogNumber:
AV18556
ChemicalName:
3-[Benzyl-(2-hydroxy-propyl)-amino]-propan-1-ol
CasNumber:
80662-80-2
MolecularFormula:
C13H21NO2
MolecularWeight:
223.3113
MdlNumber:
MFCD30185874
Smiles:
OCCCN(Cc1ccccc1)CC(O)C
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=NN=C(C1)C
Complexity: 117
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=NN=C(C1)C
Complexity:
117
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2)Br)OC(C)(C)C
Complexity: 482
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCN(CC1)c1ncnc2c1cc(Cl)c(c2)Br)OC(C)(C)C
Complexity:
482
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H]1CC[C@H](O1)C(=O)O.C[C@@H]1CC[C@@H](O1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H]1CC[C@H](O1)C(=O)O.C[C@@H]1CC[C@@H](O1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__