AE94864
146651-71-0 | tert-Butyl n-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AE94864
ChemicalName
tert-Butyl n-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamate
CasNumber
146651-71-0
MolecularFormula
C9H19NO5
MolecularWeight
221.2509
MdlNumber
MFCD14581676
Smiles
OCC(NC(=O)OC(C)(C)C)(CO)CO
Complexity
199
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
4
RotatableBondCount
6
Xlogp3
-1.2
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CatalogNumber: AE94864
ChemicalName: tert-Butyl n-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamate
CasNumber: 146651-71-0
MolecularFormula: C9H19NO5
MolecularWeight: 221.2509
MdlNumber: MFCD14581676
Smiles: OCC(NC(=O)OC(C)(C)C)(CO)CO
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 4
RotatableBondCount: 6
Xlogp3: -1.2
CatalogNumber:
AE94864
ChemicalName:
tert-Butyl n-[2-hydroxy-1,1-bis(hydroxymethyl)-ethyl]carbamate
CasNumber:
146651-71-0
MolecularFormula:
C9H19NO5
MolecularWeight:
221.2509
MdlNumber:
MFCD14581676
Smiles:
OCC(NC(=O)OC(C)(C)C)(CO)CO
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
4
RotatableBondCount:
6
Xlogp3:
-1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(c1ccccc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(c1ccccc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE94867
ChemicalName: 6-Nitro-1,2,3,4-tetrahydroisoquinoline
CasNumber: 186390-77-2
MolecularFormula: C9H10N2O2
MolecularWeight: 178.1879
MdlNumber: MFCD02684189
Smiles: [O-][N+](=O)c1ccc2c(c1)CCNC2
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AE94867
ChemicalName:
6-Nitro-1,2,3,4-tetrahydroisoquinoline
CasNumber:
186390-77-2
MolecularFormula:
C9H10N2O2
MolecularWeight:
178.1879
MdlNumber:
MFCD02684189
Smiles:
[O-][N+](=O)c1ccc2c(c1)CCNC2
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1cc(cn1)I
Complexity: 76.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1cc(cn1)I
Complexity:
76.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2