AF86524
365998-36-3 | Carbamic acid, n-[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AF86524
ChemicalName
Carbamic acid, n-[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester
CasNumber
365998-36-3
MolecularFormula
C14H27N3O3
MolecularWeight
285.3825
MdlNumber
MFCD22190570
Smiles
O=C(OC(C)(C)C)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
Complexity
363
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.4
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CatalogNumber: AF86524
ChemicalName: Carbamic acid, n-[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester
CasNumber: 365998-36-3
MolecularFormula: C14H27N3O3
MolecularWeight: 285.3825
MdlNumber: MFCD22190570
Smiles: O=C(OC(C)(C)C)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
Complexity: 363
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.4
CatalogNumber:
AF86524
ChemicalName:
Carbamic acid, n-[(1r,2s,5s)-2-amino-5-[(dimethylamino)carbonyl]cyclohexyl]-, 1,1-dimethylethyl ester
CasNumber:
365998-36-3
MolecularFormula:
C14H27N3O3
MolecularWeight:
285.3825
MdlNumber:
MFCD22190570
Smiles:
O=C(OC(C)(C)C)N[C@@H]1C[C@H](CC[C@@H]1N)C(=O)N(C)C
Complexity:
363
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.4
CatalogNumber: AF86525
ChemicalName: N-BOC-1-(3-bromophenyl)ethanamine
CasNumber: 375853-98-8
MolecularFormula: C13H18BrNO2
MolecularWeight: 300.1915
MdlNumber: MFCD12913697
Smiles: O=C(OC(C)(C)C)NC(c1cccc(c1)Br)C
Complexity: 263
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AF86525
ChemicalName:
N-BOC-1-(3-bromophenyl)ethanamine
CasNumber:
375853-98-8
MolecularFormula:
C13H18BrNO2
MolecularWeight:
300.1915
MdlNumber:
MFCD12913697
Smiles:
O=C(OC(C)(C)C)NC(c1cccc(c1)Br)C
Complexity:
263
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCC/C=C\CC=O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCC/C=C\CC=O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1nc(Cl)c(c(n1)Cl)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1nc(Cl)c(c(n1)Cl)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__