AG16783
46193-94-6 | (1-Benzylazetidin-2-yl)methanamine
Manufacturer: A2B Chem
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CatalogNumber
AG16783
ChemicalName
(1-Benzylazetidin-2-yl)methanamine
CasNumber
46193-94-6
MolecularFormula
C11H16N2
MolecularWeight
176.2581
MdlNumber
MFCD06658338
Smiles
NCC1CCN1Cc1ccccc1
Complexity
152
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1
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CatalogNumber: AG16783
ChemicalName: (1-Benzylazetidin-2-yl)methanamine
CasNumber: 46193-94-6
MolecularFormula: C11H16N2
MolecularWeight: 176.2581
MdlNumber: MFCD06658338
Smiles: NCC1CCN1Cc1ccccc1
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1
CatalogNumber:
AG16783
ChemicalName:
(1-Benzylazetidin-2-yl)methanamine
CasNumber:
46193-94-6
MolecularFormula:
C11H16N2
MolecularWeight:
176.2581
MdlNumber:
MFCD06658338
Smiles:
NCC1CCN1Cc1ccccc1
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1
CatalogNumber: AG16784
ChemicalName: 2-Nitro-benzoic acid tert-butyl ester
CasNumber: 55666-41-6
MolecularFormula: C11H13NO4
MolecularWeight: 223.2252
MdlNumber: MFCD06291302
Smiles: O=C(c1ccccc1[N+](=O)[O-])OC(C)(C)C
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
AG16784
ChemicalName:
2-Nitro-benzoic acid tert-butyl ester
CasNumber:
55666-41-6
MolecularFormula:
C11H13NO4
MolecularWeight:
223.2252
MdlNumber:
MFCD06291302
Smiles:
O=C(c1ccccc1[N+](=O)[O-])OC(C)(C)C
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C(C(=O)O)CN1CCCCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C(C(=O)O)CN1CCCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AG16786
ChemicalName: 4-(2-Pyridyl)benzoic acid
CasNumber: 4385-62-0
MolecularFormula: C12H9NO2
MolecularWeight: 199.2054
MdlNumber: MFCD01830093
Smiles: OC(=O)c1ccc(cc1)c1ccccn1
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AG16786
ChemicalName:
4-(2-Pyridyl)benzoic acid
CasNumber:
4385-62-0
MolecularFormula:
C12H9NO2
MolecularWeight:
199.2054
MdlNumber:
MFCD01830093
Smiles:
OC(=O)c1ccc(cc1)c1ccccn1
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2