AA57716
138374-00-2 | 2-N-Boc-butane-1,2-diamine-HCl
Manufacturer: A2B Chem
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CatalogNumber
AA57716
ChemicalName
2-N-Boc-butane-1,2-diamine-HCl
CasNumber
138374-00-2
MolecularFormula
C9H21ClN2O2
MolecularWeight
224.7282
MdlNumber
MFCD11112243
Smiles
CCC(NC(=O)OC(C)(C)C)CN.Cl
Complexity
164
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA57716
ChemicalName: 2-N-Boc-butane-1,2-diamine-HCl
CasNumber: 138374-00-2
MolecularFormula: C9H21ClN2O2
MolecularWeight: 224.7282
MdlNumber: MFCD11112243
Smiles: CCC(NC(=O)OC(C)(C)C)CN.Cl
Complexity: 164
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA57716
ChemicalName:
2-N-Boc-butane-1,2-diamine-HCl
CasNumber:
138374-00-2
MolecularFormula:
C9H21ClN2O2
MolecularWeight:
224.7282
MdlNumber:
MFCD11112243
Smiles:
CCC(NC(=O)OC(C)(C)C)CN.Cl
Complexity:
164
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
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MolecularFormula: __
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Smiles: [N-]=[N+]=NCCN1CCCCC1
Complexity: __
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HeavyAtomCount: __
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Smiles:
[N-]=[N+]=NCCN1CCCCC1
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Smiles: COc1cc(N)c2c(c1)cc[nH]2
Complexity: __
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ChemicalName:
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Smiles:
COc1cc(N)c2c(c1)cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: COc1cc2cc([nH]c2c(c1)[N+](=O)[O-])C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2cc([nH]c2c(c1)[N+](=O)[O-])C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__