AI16374
1251017-49-8 | 5-Hydroxymethyl-5,6-dihydro-4h,8h-1,3a,7-triaza-azulene-7-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI16374
ChemicalName
5-Hydroxymethyl-5,6-dihydro-4h,8h-1,3a,7-triaza-azulene-7-carboxylic acid tert-butyl ester
CasNumber
1251017-49-8
MolecularFormula
C13H21N3O3
MolecularWeight
267.3241
MdlNumber
MFCD18792188
Smiles
OCC1CN(Cc2n(C1)ccn2)C(=O)OC(C)(C)C
Complexity
330
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI16374
ChemicalName: 5-Hydroxymethyl-5,6-dihydro-4h,8h-1,3a,7-triaza-azulene-7-carboxylic acid tert-butyl ester
CasNumber: 1251017-49-8
MolecularFormula: C13H21N3O3
MolecularWeight: 267.3241
MdlNumber: MFCD18792188
Smiles: OCC1CN(Cc2n(C1)ccn2)C(=O)OC(C)(C)C
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI16374
ChemicalName:
5-Hydroxymethyl-5,6-dihydro-4h,8h-1,3a,7-triaza-azulene-7-carboxylic acid tert-butyl ester
CasNumber:
1251017-49-8
MolecularFormula:
C13H21N3O3
MolecularWeight:
267.3241
MdlNumber:
MFCD18792188
Smiles:
OCC1CN(Cc2n(C1)ccn2)C(=O)OC(C)(C)C
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: N1CCC(CC1)c1cnn[nH]1
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Smiles:
N1CCC(CC1)c1cnn[nH]1
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Smiles: Brc1ccc2c(c1)n(cn2)C1CCCN(CC1)C(=O)OC(C)(C)C
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Smiles:
Brc1ccc2c(c1)n(cn2)C1CCCN(CC1)C(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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