AB76606
79286-74-1 | 3-Acetamidopyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AB76606
ChemicalName
3-Acetamidopyrrolidine
CasNumber
79286-74-1
MolecularFormula
C6H12N2O
MolecularWeight
128.1723
MdlNumber
MFCD00059019
Smiles
CC(=O)NC1CNCC1
Complexity
114
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.7
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CatalogNumber: AB76606
ChemicalName: 3-Acetamidopyrrolidine
CasNumber: 79286-74-1
MolecularFormula: C6H12N2O
MolecularWeight: 128.1723
MdlNumber: MFCD00059019
Smiles: CC(=O)NC1CNCC1
Complexity: 114
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.7
CatalogNumber:
AB76606
ChemicalName:
3-Acetamidopyrrolidine
CasNumber:
79286-74-1
MolecularFormula:
C6H12N2O
MolecularWeight:
128.1723
MdlNumber:
MFCD00059019
Smiles:
CC(=O)NC1CNCC1
Complexity:
114
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.7
CatalogNumber: AB76607
ChemicalName: N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
CasNumber: 85363-04-8
MolecularFormula: C7H12N2O2
MolecularWeight: 156.18237999999997
MdlNumber: MFCD00239390
Smiles: N#CCNC(=O)OC(C)(C)C
Complexity: 184
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AB76607
ChemicalName:
N-(tert-Butoxycarbonyl)-2-aminoacetonitrile
CasNumber:
85363-04-8
MolecularFormula:
C7H12N2O2
MolecularWeight:
156.18237999999997
MdlNumber:
MFCD00239390
Smiles:
N#CCNC(=O)OC(C)(C)C
Complexity:
184
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Nc1ccccc1Br
Complexity: 225
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Nc1ccccc1Br
Complexity:
225
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: AB76609
ChemicalName: tert-butyl N-(3-bromophenyl)carbamate
CasNumber: 25216-74-4
MolecularFormula: C11H14BrNO2
MolecularWeight: 272.1384
MdlNumber: MFCD01006618
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1)Br
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 3.8
CatalogNumber:
AB76609
ChemicalName:
tert-butyl N-(3-bromophenyl)carbamate
CasNumber:
25216-74-4
MolecularFormula:
C11H14BrNO2
MolecularWeight:
272.1384
MdlNumber:
MFCD01006618
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1)Br
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.8