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58828-90-3 molecular structure
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formic acid; trimethylamine

ChemBase ID: 156082
Molecular Formular: C4H11NO2
Molecular Mass: 105.13564
Monoisotopic Mass: 105.0789786
SMILES and InChIs

SMILES:
CN(C)C.C(=O)O
Canonical SMILES:
CN(C)C.OC=O
InChI:
InChI=1S/C3H9N.CH2O2/c1-4(2)3;2-1-3/h1-3H3;1H,(H,2,3)
InChIKey:
UPVCRZBVVOXMDA-UHFFFAOYSA-N

Cite this record

CBID:156082 http://www.chembase.cn/molecule-156082.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
formic acid; trimethylamine
IUPAC Traditional name
formic acid; trimethylamine
Synonyms
Buffer solution 1 M pH 5.0-6.0 (volatile)
Trimethylammonium formate solution
缓冲溶液 1M pH 5.0-6.0(挥发性)
甲酸三甲铵 溶液
CAS Number
58828-90-3
MDL Number
MFCD00034822
Beilstein Number
4145900
PubChem SID
162250220
PubChem CID
289818

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
92287 external link Add to cart Please log in.
Data Source Data ID
PubChem 289818 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.208248  LogD (pH = 7.4) -1.966536 
Log P 0.19016947  Molar Refractivity 19.9881 cm3
Polarizability 7.800994 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λ: 260 nm Amax: 0.01 expand Show data source
λ: 280 nm Amax: 0.01 expand Show data source
pH
5.0-6.0 (25 °C) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Concentration
~1.0 M in H2O expand Show data source
Impurities
insoluble matter, passes filter test expand Show data source
Cation Traces
Ca: ≤5 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Co: ≤1 mg/kg expand Show data source
Cr: ≤1 mg/kg expand Show data source
Cu: ≤1 mg/kg expand Show data source
Fe: ≤1 mg/kg expand Show data source
K: ≤20 mg/kg expand Show data source
Mg: ≤1 mg/kg expand Show data source
Mn: ≤1 mg/kg expand Show data source
Na: ≤20 mg/kg expand Show data source
Ni: ≤1 mg/kg expand Show data source
Pb: ≤1 mg/kg expand Show data source
Zn: ≤1 mg/kg expand Show data source
λ
neat expand Show data source
Product Line
BioUltra expand Show data source
Linear Formula
(CH3)3N · HCOOH expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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