AB50021
121492-06-6 | 1-BOC-1-Methylethylenediamine
Manufacturer: A2B Chem
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CatalogNumber
AB50021
ChemicalName
1-BOC-1-Methylethylenediamine
CasNumber
121492-06-6
MolecularFormula
C8H18N2O2
MolecularWeight
174.2407
MdlNumber
MFCD01317789
Smiles
NCCN(C(=O)OC(C)(C)C)C
Complexity
152
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
0.2
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CatalogNumber: AB50021
ChemicalName: 1-BOC-1-Methylethylenediamine
CasNumber: 121492-06-6
MolecularFormula: C8H18N2O2
MolecularWeight: 174.2407
MdlNumber: MFCD01317789
Smiles: NCCN(C(=O)OC(C)(C)C)C
Complexity: 152
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 0.2
CatalogNumber:
AB50021
ChemicalName:
1-BOC-1-Methylethylenediamine
CasNumber:
121492-06-6
MolecularFormula:
C8H18N2O2
MolecularWeight:
174.2407
MdlNumber:
MFCD01317789
Smiles:
NCCN(C(=O)OC(C)(C)C)C
Complexity:
152
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
0.2
CatalogNumber: AB50022
ChemicalName: Isoquinolin-1-ylmethanamine
CasNumber: 40615-08-5
MolecularFormula: C10H10N2
MolecularWeight: 158.1998
MdlNumber: MFCD06213370
Smiles: NCc1nccc2c1cccc2
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB50022
ChemicalName:
Isoquinolin-1-ylmethanamine
CasNumber:
40615-08-5
MolecularFormula:
C10H10N2
MolecularWeight:
158.1998
MdlNumber:
MFCD06213370
Smiles:
NCc1nccc2c1cccc2
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AB50023
ChemicalName: 5-Fluoroindole
CasNumber: 399-52-0
MolecularFormula: C8H6FN
MolecularWeight: 135.1383
MdlNumber: MFCD18426003
Smiles: Fc1ccc2c(c1)cc[nH]2
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB50023
ChemicalName:
5-Fluoroindole
CasNumber:
399-52-0
MolecularFormula:
C8H6FN
MolecularWeight:
135.1383
MdlNumber:
MFCD18426003
Smiles:
Fc1ccc2c(c1)cc[nH]2
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: AB50024
ChemicalName: 5-Bromo-4-fluoro-2-hydroxybenzaldehyde
CasNumber: 399-00-8
MolecularFormula: C7H4BrFO2
MolecularWeight: 219.0079
MdlNumber: MFCD06739493
Smiles: O=Cc1cc(Br)c(cc1O)F
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB50024
ChemicalName:
5-Bromo-4-fluoro-2-hydroxybenzaldehyde
CasNumber:
399-00-8
MolecularFormula:
C7H4BrFO2
MolecularWeight:
219.0079
MdlNumber:
MFCD06739493
Smiles:
O=Cc1cc(Br)c(cc1O)F
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4