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1170137-51-5 molecular structure
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2-(4-methyl-1H-pyrazol-1-yl)propan-1-amine

ChemBase ID: 308022
Molecular Formular: C7H13N3
Molecular Mass: 139.19822
Monoisotopic Mass: 139.11094743
SMILES and InChIs

SMILES:
n1(ncc(c1)C)C(CN)C
Canonical SMILES:
CC(n1cc(cn1)C)CN
InChI:
InChI=1S/C7H13N3/c1-6-4-9-10(5-6)7(2)3-8/h4-5,7H,3,8H2,1-2H3
InChIKey:
XESDWQGZKSJTMM-UHFFFAOYSA-N

Cite this record

CBID:308022 http://www.chembase.cn/molecule-308022.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methyl-1H-pyrazol-1-yl)propan-1-amine
IUPAC Traditional name
2-(4-methylpyrazol-1-yl)propan-1-amine
Synonyms
2-(4-methyl-1H-pyrazol-1-yl)-1-propanamine
CAS Number
1170137-51-5
MDL Number
MFCD10001525

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) -2.4687393  LogD (pH = 7.4) -1.671675 
Log P 0.5341185  Molar Refractivity 52.3712 cm3
Polarizability 15.868186 Å3 Polar Surface Area 43.84 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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