AE31647
1065608-51-6 | tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE31647
ChemicalName
tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate
CasNumber
1065608-51-6
MolecularFormula
C12H23NO3
MolecularWeight
229.3159
MdlNumber
MFCD18088895
Smiles
OCC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AE31647
ChemicalName: tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate
CasNumber: 1065608-51-6
MolecularFormula: C12H23NO3
MolecularWeight: 229.3159
MdlNumber: MFCD18088895
Smiles: OCC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AE31647
ChemicalName:
tert-Butyl 4-(hydroxymethyl)azepane-1-carboxylate
CasNumber:
1065608-51-6
MolecularFormula:
C12H23NO3
MolecularWeight:
229.3159
MdlNumber:
MFCD18088895
Smiles:
OCC1CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
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Smiles: OC(=O)c1c[nH]c2c1ccnc2F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
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Smiles:
OC(=O)c1c[nH]c2c1ccnc2F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: [O-]C(=O)[C@H](C(C)(C)C)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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Xlogp3: __
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MolecularFormula:
__
MolecularWeight:
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Smiles:
[O-]C(=O)[C@H](C(C)(C)C)/N=C/c1ccccc1P(c1ccccc1)c1ccccc1.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1c(C)ncnc1C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1c(C)ncnc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__