AB50503
152193-00-5 | (2-Aminoethyl)-benzyl carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB50503
ChemicalName
(2-Aminoethyl)-benzyl carbamic acid tert-butyl ester
CasNumber
152193-00-5
MolecularFormula
C14H22N2O2
MolecularWeight
250.3367
MdlNumber
MFCD06245501
Smiles
NCCN(C(=O)OC(C)(C)C)Cc1ccccc1
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.7
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CatalogNumber: AB50503
ChemicalName: (2-Aminoethyl)-benzyl carbamic acid tert-butyl ester
CasNumber: 152193-00-5
MolecularFormula: C14H22N2O2
MolecularWeight: 250.3367
MdlNumber: MFCD06245501
Smiles: NCCN(C(=O)OC(C)(C)C)Cc1ccccc1
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AB50503
ChemicalName:
(2-Aminoethyl)-benzyl carbamic acid tert-butyl ester
CasNumber:
152193-00-5
MolecularFormula:
C14H22N2O2
MolecularWeight:
250.3367
MdlNumber:
MFCD06245501
Smiles:
NCCN(C(=O)OC(C)(C)C)Cc1ccccc1
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1ccc(cc1)N
Complexity: 90.7
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=Cc1ccc(cc1)N
Complexity:
90.7
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: AB50505
ChemicalName: (S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid
CasNumber: 151911-33-0
MolecularFormula: C9H10FNO2
MolecularWeight: 183.1796
MdlNumber: MFCD03840458
Smiles: N[C@H](c1ccc(cc1)F)CC(=O)O
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.3
CatalogNumber:
AB50505
ChemicalName:
(S)-3-Amino-3-(4-fluoro-phenyl)-propionic acid
CasNumber:
151911-33-0
MolecularFormula:
C9H10FNO2
MolecularWeight:
183.1796
MdlNumber:
MFCD03840458
Smiles:
N[C@H](c1ccc(cc1)F)CC(=O)O
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@@H](c1ccc(cc1)F)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](c1ccc(cc1)F)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__