AB52429
6246-05-5 | 3-Oxetanemethanamine
Manufacturer: A2B Chem
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CatalogNumber
AB52429
ChemicalName
3-Oxetanemethanamine
CasNumber
6246-05-5
MolecularFormula
C4H9NO
MolecularWeight
87.12035999999999
MdlNumber
MFCD12547197
Smiles
NCC1COC1
Complexity
42.8
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.8
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CatalogNumber: AB52429
ChemicalName: 3-Oxetanemethanamine
CasNumber: 6246-05-5
MolecularFormula: C4H9NO
MolecularWeight: 87.12035999999999
MdlNumber: MFCD12547197
Smiles: NCC1COC1
Complexity: 42.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.8
CatalogNumber:
AB52429
ChemicalName:
3-Oxetanemethanamine
CasNumber:
6246-05-5
MolecularFormula:
C4H9NO
MolecularWeight:
87.12035999999999
MdlNumber:
MFCD12547197
Smiles:
NCC1COC1
Complexity:
42.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.8
CatalogNumber: AB52430
ChemicalName: tert-Butyl 3-(bromomethyl)phenylcarbamate
CasNumber: 118684-32-5
MolecularFormula: C12H16BrNO2
MolecularWeight: 286.1649
MdlNumber: MFCD11974927
Smiles: BrCc1cccc(c1)NC(=O)OC(C)(C)C
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 3.4
CatalogNumber:
AB52430
ChemicalName:
tert-Butyl 3-(bromomethyl)phenylcarbamate
CasNumber:
118684-32-5
MolecularFormula:
C12H16BrNO2
MolecularWeight:
286.1649
MdlNumber:
MFCD11974927
Smiles:
BrCc1cccc(c1)NC(=O)OC(C)(C)C
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.4
CatalogNumber: AB52431
ChemicalName: DL-10-camphorsulfonic acid
CasNumber: 5872-08-2
MolecularFormula: C10H16O4S
MolecularWeight: 232.2966
MdlNumber: MFCD00074827
Smiles: O=C1CC2C(C1(CC2)CS(=O)(=O)O)(C)C
Complexity: 404
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 2
Xlogp3: 0.5
CatalogNumber:
AB52431
ChemicalName:
DL-10-camphorsulfonic acid
CasNumber:
5872-08-2
MolecularFormula:
C10H16O4S
MolecularWeight:
232.2966
MdlNumber:
MFCD00074827
Smiles:
O=C1CC2C(C1(CC2)CS(=O)(=O)O)(C)C
Complexity:
404
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
2
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCNC(=O)OCc1ccccc1.Cl
Complexity: 168
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCNC(=O)OCc1ccccc1.Cl
Complexity:
168
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__