AB47399
811442-84-9 | tert-Butyl (14-amino-3,6,9,12-tetraoxatetradecyl)carbamate
Manufacturer: A2B Chem
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CatalogNumber
AB47399
ChemicalName
tert-Butyl (14-amino-3,6,9,12-tetraoxatetradecyl)carbamate
CasNumber
811442-84-9
MolecularFormula
C15H32N2O6
MolecularWeight
336.42438
MdlNumber
MFCD16619339
Smiles
NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity
284
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
16
Xlogp3
-0.6
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CatalogNumber: AB47399
ChemicalName: tert-Butyl (14-amino-3,6,9,12-tetraoxatetradecyl)carbamate
CasNumber: 811442-84-9
MolecularFormula: C15H32N2O6
MolecularWeight: 336.42438
MdlNumber: MFCD16619339
Smiles: NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 16
Xlogp3: -0.6
CatalogNumber:
AB47399
ChemicalName:
tert-Butyl (14-amino-3,6,9,12-tetraoxatetradecyl)carbamate
CasNumber:
811442-84-9
MolecularFormula:
C15H32N2O6
MolecularWeight:
336.42438
MdlNumber:
MFCD16619339
Smiles:
NCCOCCOCCOCCOCCNC(=O)OC(C)(C)C
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
16
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(=O)[C@@]1(O)C[C@H](OC2C[C@H](N)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl
Complexity: 977
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(=O)[C@@]1(O)C[C@H](OC2C[C@H](N)[C@@H]([C@@H](O2)C)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC.Cl
Complexity:
977
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47401
ChemicalName: 2-(4-Trifluoromethyl-phenyl)-ethylamine
CasNumber: 775-00-8
MolecularFormula: C9H10F3N
MolecularWeight: 189.1776
MdlNumber: MFCD01529875
Smiles: NCCc1ccc(cc1)C(F)(F)F
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB47401
ChemicalName:
2-(4-Trifluoromethyl-phenyl)-ethylamine
CasNumber:
775-00-8
MolecularFormula:
C9H10F3N
MolecularWeight:
189.1776
MdlNumber:
MFCD01529875
Smiles:
NCCc1ccc(cc1)C(F)(F)F
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc[nH]1
Complexity: 43.2
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc[nH]1
Complexity:
43.2
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1