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1185302-03-7 molecular structure
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1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethanamine

ChemBase ID: 306743
Molecular Formular: C9H15N3
Molecular Mass: 165.2355
Monoisotopic Mass: 165.1265975
SMILES and InChIs

SMILES:
n1[nH]c2c(c1CN)CCCCC2
Canonical SMILES:
NCc1n[nH]c2c1CCCCC2
InChI:
InChI=1S/C9H15N3/c10-6-9-7-4-2-1-3-5-8(7)11-12-9/h1-6,10H2,(H,11,12)
InChIKey:
UVLMQESMQZYYNE-UHFFFAOYSA-N

Cite this record

CBID:306743 http://www.chembase.cn/molecule-306743.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethanamine
IUPAC Traditional name
1H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-ylmethanamine
Synonyms
(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)amine
CAS Number
1185302-03-7
MDL Number
MFCD20502478

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5004252  LogD (pH = 7.4) 0.13131547 
Log P 1.1455866  Molar Refractivity 49.8113 cm3
Polarizability 18.820776 Å3 Polar Surface Area 54.7 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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