AI16354
1251014-84-2 | 7-Hydroxymethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16354
ChemicalName
7-Hydroxymethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
CasNumber
1251014-84-2
MolecularFormula
C13H21N3O3
MolecularWeight
267.3241
MdlNumber
MFCD18792194
Smiles
OCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AI16354
ChemicalName: 7-Hydroxymethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
CasNumber: 1251014-84-2
MolecularFormula: C13H21N3O3
MolecularWeight: 267.3241
MdlNumber: MFCD18792194
Smiles: OCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AI16354
ChemicalName:
7-Hydroxymethyl-7,8-dihydro-4h,6h-1,5,8a-triaza-azulene-5-carboxylic acid tert-butyl ester
CasNumber:
1251014-84-2
MolecularFormula:
C13H21N3O3
MolecularWeight:
267.3241
MdlNumber:
MFCD18792194
Smiles:
OCC1CN(Cc2n(C1)ncc2)C(=O)OC(C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1nc2c([nH]1)CN(CC2)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1nc2c([nH]1)CN(CC2)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC[C@H]2[C@@H](C1)c1cc(F)ccc1N2)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI16357
ChemicalName: tert-Butyl (3aS,6aS)-3a-(aminomethyl)-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
CasNumber: 1251015-11-8
MolecularFormula: C12H22N2O3
MolecularWeight: 242.3147
MdlNumber: MFCD17017198
Smiles: NC[C@]12COC[C@@H]2CN(C1)C(=O)OC(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: -0.1
CatalogNumber:
AI16357
ChemicalName:
tert-Butyl (3aS,6aS)-3a-(aminomethyl)-tetrahydro-1H-furo[3,4-c]pyrrole-5-carboxylate
CasNumber:
1251015-11-8
MolecularFormula:
C12H22N2O3
MolecularWeight:
242.3147
MdlNumber:
MFCD17017198
Smiles:
NC[C@]12COC[C@@H]2CN(C1)C(=O)OC(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.1