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2-N-(butan-2-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
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ChemBase ID:
157064
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Molecular Formular:
C9H16ClN5
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Molecular Mass:
229.70984
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Monoisotopic Mass:
229.10942322
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SMILES and InChIs
SMILES:
CCC(C)Nc1nc(nc(n1)Cl)NCC
Canonical SMILES:
CCNc1nc(NC(CC)C)nc(n1)Cl
InChI:
InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)
InChIKey:
BZRUVKZGXNSXMB-UHFFFAOYSA-N
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Cite this record
CBID:157064 http://www.chembase.cn/molecule-157064.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-N-(butan-2-yl)-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
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IUPAC Traditional name
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6-chloro-2-N-ethyl-4-N-(sec-butyl)-1,3,5-triazine-2,4-diamine
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Synonyms
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2-sec-Butylamino-4-chloro-6-ethylamino-1,3,5-triazine
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Sebuthylazin
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Sebuthylazin solution
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2-仲丁氨基-4-氯-6-乙氨基-1,3,5-三嗪
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另丁津
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另丁津 溶液
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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14.399408
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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2.717975
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LogD (pH = 7.4)
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2.7200968
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Log P
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2.720124
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Molar Refractivity
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66.7398 cm3
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Polarizability
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23.023012 Å3
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Polar Surface Area
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62.73 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
31261
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General description Standard for Supelco MIP SPE cartridges. For more information request Supelco Literature T407075, T706023 Legal Information PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH |
Sigma Aldrich -
45901
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General description Standard for Supelco MIP SPE cartridges. For more information request Supelco Literature T407075, T706023 Legal Information PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH |
PATENTS
PATENTS
PubChem Patent
Google Patent