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1015846-29-3 molecular structure
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2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine

ChemBase ID: 307978
Molecular Formular: C7H14N4
Molecular Mass: 154.21286
Monoisotopic Mass: 154.12184647
SMILES and InChIs

SMILES:
c1(ncnn1C)C(N)C(C)C
Canonical SMILES:
CC(C(c1ncnn1C)N)C
InChI:
InChI=1S/C7H14N4/c1-5(2)6(8)7-9-4-10-11(7)3/h4-6H,8H2,1-3H3
InChIKey:
LUTYSHHATVYMSC-UHFFFAOYSA-N

Cite this record

CBID:307978 http://www.chembase.cn/molecule-307978.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)propan-1-amine
IUPAC Traditional name
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
Synonyms
2-methyl-1-(1-methyl-1H-1,2,4-triazol-5-yl)-1-propanamine
CAS Number
1015846-29-3
MDL Number
MFCD09971215

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.2507854  LogD (pH = 7.4) -0.6067345 
Log P 0.36978057  Molar Refractivity 55.4254 cm3
Polarizability 16.905834 Å3 Polar Surface Area 56.73 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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