AE62759
1249236-95-0 | Methyl 3-amino-4-(tert-butylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62759
ChemicalName
Methyl 3-amino-4-(tert-butylamino)benzoate
CasNumber
1249236-95-0
MolecularFormula
C12H18N2O2
MolecularWeight
222.2835
MdlNumber
MFCD14621798
Smiles
COC(=O)c1ccc(c(c1)N)NC(C)(C)C
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AE62759
ChemicalName: Methyl 3-amino-4-(tert-butylamino)benzoate
CasNumber: 1249236-95-0
MolecularFormula: C12H18N2O2
MolecularWeight: 222.2835
MdlNumber: MFCD14621798
Smiles: COC(=O)c1ccc(c(c1)N)NC(C)(C)C
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AE62759
ChemicalName:
Methyl 3-amino-4-(tert-butylamino)benzoate
CasNumber:
1249236-95-0
MolecularFormula:
C12H18N2O2
MolecularWeight:
222.2835
MdlNumber:
MFCD14621798
Smiles:
COC(=O)c1ccc(c(c1)N)NC(C)(C)C
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:
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:
__