AB45576
454451-28-6 | Boc-4-aminohexahydro-4h-azepine
Manufacturer: A2B Chem
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CatalogNumber
AB45576
ChemicalName
Boc-4-aminohexahydro-4h-azepine
CasNumber
454451-28-6
MolecularFormula
C11H22N2O2
MolecularWeight
214.3046
MdlNumber
MFCD04038552
Smiles
O=C(OC(C)(C)C)NC1CCNCCC1
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.4
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CatalogNumber: AB45576
ChemicalName: Boc-4-aminohexahydro-4h-azepine
CasNumber: 454451-28-6
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD04038552
Smiles: O=C(OC(C)(C)C)NC1CCNCCC1
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.4
CatalogNumber:
AB45576
ChemicalName:
Boc-4-aminohexahydro-4h-azepine
CasNumber:
454451-28-6
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD04038552
Smiles:
O=C(OC(C)(C)C)NC1CCNCCC1
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.4
CatalogNumber: AB45577
ChemicalName: Methyl 1-Boc-azetidine-3-carboxylate
CasNumber: 610791-05-4
MolecularFormula: C10H17NO4
MolecularWeight: 215.2463
MdlNumber: MFCD06656775
Smiles: COC(=O)C1CN(C1)C(=O)OC(C)(C)C
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AB45577
ChemicalName:
Methyl 1-Boc-azetidine-3-carboxylate
CasNumber:
610791-05-4
MolecularFormula:
C10H17NO4
MolecularWeight:
215.2463
MdlNumber:
MFCD06656775
Smiles:
COC(=O)C1CN(C1)C(=O)OC(C)(C)C
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[Si](N=[N+]=[N-])(C)C
Complexity: 97.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[Si](N=[N+]=[N-])(C)C
Complexity:
97.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB45579
ChemicalName: Diazene-1,2-diylbis(morpholinomethanone)
CasNumber: 10465-82-4
MolecularFormula: C10H16N4O4
MolecularWeight: 256.2584
MdlNumber: MFCD00043006
Smiles: O=C(N1CCOCC1)N=NC(=O)N1CCOCC1
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.6
CatalogNumber:
AB45579
ChemicalName:
Diazene-1,2-diylbis(morpholinomethanone)
CasNumber:
10465-82-4
MolecularFormula:
C10H16N4O4
MolecularWeight:
256.2584
MdlNumber:
MFCD00043006
Smiles:
O=C(N1CCOCC1)N=NC(=O)N1CCOCC1
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.6