AE25137
1037073-41-8 | tert-Butyl N-{1-[(3-methoxypropyl)carbamoyl]ethyl}carbamate
Manufacturer: A2B Chem
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CatalogNumber
AE25137
ChemicalName
tert-Butyl N-{1-[(3-methoxypropyl)carbamoyl]ethyl}carbamate
CasNumber
1037073-41-8
MolecularFormula
C12H24N2O4
MolecularWeight
260.33
MdlNumber
MFCD22549328
Smiles
COCCCNC(=O)C(NC(=O)OC(C)(C)C)C
Complexity
274
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
8
UndefinedAtomStereocenterCount
1
Xlogp3
0.9
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CatalogNumber: AE25137
ChemicalName: tert-Butyl N-{1-[(3-methoxypropyl)carbamoyl]ethyl}carbamate
CasNumber: 1037073-41-8
MolecularFormula: C12H24N2O4
MolecularWeight: 260.33
MdlNumber: MFCD22549328
Smiles: COCCCNC(=O)C(NC(=O)OC(C)(C)C)C
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 8
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.9
CatalogNumber:
AE25137
ChemicalName:
tert-Butyl N-{1-[(3-methoxypropyl)carbamoyl]ethyl}carbamate
CasNumber:
1037073-41-8
MolecularFormula:
C12H24N2O4
MolecularWeight:
260.33
MdlNumber:
MFCD22549328
Smiles:
COCCCNC(=O)C(NC(=O)OC(C)(C)C)C
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
8
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc(C#CCO)c(nc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc(C#CCO)c(nc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AE25139
ChemicalName: 5,6-Dimethoxynicotinonitrile
CasNumber: 1112851-31-6
MolecularFormula: C8H8N2O2
MolecularWeight: 164.1613
MdlNumber: MFCD11857660
Smiles: COc1cc(C#N)cnc1OC
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
AE25139
ChemicalName:
5,6-Dimethoxynicotinonitrile
CasNumber:
1112851-31-6
MolecularFormula:
C8H8N2O2
MolecularWeight:
164.1613
MdlNumber:
MFCD11857660
Smiles:
COc1cc(C#N)cnc1OC
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: AE25140
ChemicalName: 1-Cyclopropyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CasNumber: 1119505-56-4
MolecularFormula: C12H11N3
MolecularWeight: 197.2358
MdlNumber: MFCD13881257
Smiles: N#Cc1ccc2c(c1)nc(n2C1CC1)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2
CatalogNumber:
AE25140
ChemicalName:
1-Cyclopropyl-2-methyl-1,3-benzodiazole-5-carbonitrile
CasNumber:
1119505-56-4
MolecularFormula:
C12H11N3
MolecularWeight:
197.2358
MdlNumber:
MFCD13881257
Smiles:
N#Cc1ccc2c(c1)nc(n2C1CC1)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2