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342614-29-3 molecular structure
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1,3-dimethyl-1,4-diazepane

ChemBase ID: 307602
Molecular Formular: C7H16N2
Molecular Mass: 128.21534
Monoisotopic Mass: 128.13134852
SMILES and InChIs

SMILES:
N1(CC(NCCC1)C)C
Canonical SMILES:
CN1CCCNC(C1)C
InChI:
InChI=1S/C7H16N2/c1-7-6-9(2)5-3-4-8-7/h7-8H,3-6H2,1-2H3
InChIKey:
CPZHVHQMQBDZMW-UHFFFAOYSA-N

Cite this record

CBID:307602 http://www.chembase.cn/molecule-307602.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dimethyl-1,4-diazepane
IUPAC Traditional name
1,3-dimethyl-1,4-diazepane
Synonyms
1,3-dimethyl-1,4-diazepane
CAS Number
342614-29-3
MDL Number
MFCD09864361

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.24516  LogD (pH = 7.4) -3.1236467 
Log P 0.13077587  Molar Refractivity 40.0277 cm3
Polarizability 15.965017 Å3 Polar Surface Area 15.27 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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