AE62760
1423037-31-3 | Methyl 4-amino-3-(tert-butylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62760
ChemicalName
Methyl 4-amino-3-(tert-butylamino)benzoate
CasNumber
1423037-31-3
MolecularFormula
C12H18N2O2
MolecularWeight
222.2835
MdlNumber
MFCD23135901
Smiles
COC(=O)c1ccc(c(c1)NC(C)(C)C)N
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AE62760
ChemicalName: Methyl 4-amino-3-(tert-butylamino)benzoate
CasNumber: 1423037-31-3
MolecularFormula: C12H18N2O2
MolecularWeight: 222.2835
MdlNumber: MFCD23135901
Smiles: COC(=O)c1ccc(c(c1)NC(C)(C)C)N
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AE62760
ChemicalName:
Methyl 4-amino-3-(tert-butylamino)benzoate
CasNumber:
1423037-31-3
MolecularFormula:
C12H18N2O2
MolecularWeight:
222.2835
MdlNumber:
MFCD23135901
Smiles:
COC(=O)c1ccc(c(c1)NC(C)(C)C)N
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AE62761
ChemicalName: Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CasNumber: 1423037-40-4
MolecularFormula: C16H27NO6
MolecularWeight: 329.3887
MdlNumber: MFCD23135961
Smiles: CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
Complexity: 446
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 8
Xlogp3: 1.5
CatalogNumber:
AE62761
ChemicalName:
Methyl 1-BOC-4-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CasNumber:
1423037-40-4
MolecularFormula:
C16H27NO6
MolecularWeight:
329.3887
MdlNumber:
MFCD23135961
Smiles:
CCOC(=O)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
Complexity:
446
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
8
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])NC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Br)c(c(c1)[N+](=O)[O-])NC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62763
ChemicalName: 3-[(3-Methylbutane)sulfonyl]aniline
CasNumber: 1375068-98-6
MolecularFormula: C11H17NO2S
MolecularWeight: 227.3232
MdlNumber: MFCD22205835
Smiles: CC(CCS(=O)(=O)c1cccc(c1)N)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AE62763
ChemicalName:
3-[(3-Methylbutane)sulfonyl]aniline
CasNumber:
1375068-98-6
MolecularFormula:
C11H17NO2S
MolecularWeight:
227.3232
MdlNumber:
MFCD22205835
Smiles:
CC(CCS(=O)(=O)c1cccc(c1)N)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2