AA64731
146514-31-0 | DL-3-(BOC-Amino)-1-butanol
Manufacturer: A2B Chem
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CatalogNumber
AA64731
ChemicalName
DL-3-(BOC-Amino)-1-butanol
CasNumber
146514-31-0
MolecularFormula
C9H19NO3
MolecularWeight
189.2521
MdlNumber
MFCD09031504
Smiles
OCCC(NC(=O)OC(C)(C)C)C
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AA64731
ChemicalName: DL-3-(BOC-Amino)-1-butanol
CasNumber: 146514-31-0
MolecularFormula: C9H19NO3
MolecularWeight: 189.2521
MdlNumber: MFCD09031504
Smiles: OCCC(NC(=O)OC(C)(C)C)C
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AA64731
ChemicalName:
DL-3-(BOC-Amino)-1-butanol
CasNumber:
146514-31-0
MolecularFormula:
C9H19NO3
MolecularWeight:
189.2521
MdlNumber:
MFCD09031504
Smiles:
OCCC(NC(=O)OC(C)(C)C)C
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CCCCCCCCNC(=N)NC(=N)NCc1ccc(c(c1)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCCCCCCCNC(=N)NC(=N)NCc1ccc(c(c1)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: NCCCNCCS.Cl.Cl
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
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__
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__
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Smiles:
NCCCNCCS.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: O=C1CCP(=O)(O1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCP(=O)(O1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__