Home > Compound List > Compound details
13880-05-2 molecular structure
click picture or here to close

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide

ChemBase ID: 151888
Molecular Formular: C7H13NO4
Molecular Mass: 175.18242
Monoisotopic Mass: 175.0844579
SMILES and InChIs

SMILES:
C=CC(=O)NC(CO)(CO)CO
Canonical SMILES:
OCC(NC(=O)C=C)(CO)CO
InChI:
InChI=1S/C7H13NO4/c1-2-6(12)8-7(3-9,4-10)5-11/h2,9-11H,1,3-5H2,(H,8,12)
InChIKey:
MVBJSQCJPSRKSW-UHFFFAOYSA-N

Cite this record

CBID:151888 http://www.chembase.cn/molecule-151888.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
IUPAC Traditional name
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]prop-2-enamide
Synonyms
NAT
TRIS-acrylamide
N-[Tris(hydroxymethyl)methyl]acrylamide
Acrylamidotris(hydroxymethyl)methane
N-Acryloyltris(hydroxymethyl)aminomethane
TRIS-丙烯酰胺
N-[三(羟甲基)甲基]丙烯酰胺
N-丙烯酰(三羟甲基)氨基甲烷
CAS Number
13880-05-2
EC Number
237-645-4
MDL Number
MFCD00081045
Beilstein Number
2081162
PubChem SID
162246034
24862471
PubChem CID
83788

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 83788 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.111706  H Acceptors
H Donor LogD (pH = 5.5) -2.13709 
LogD (pH = 7.4) -2.1370902  Log P -2.1370895 
Molar Refractivity 42.447 cm3 Polarizability 16.561445 Å3
Polar Surface Area 89.79 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
134-138°C expand Show data source
136-141 °C(lit.) expand Show data source
Storage Warning
Light Sensitive & Hygroscopic expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
93% expand Show data source
99% expand Show data source
Contains
≤7% KCl expand Show data source
Linear Formula
H2C=CHCONHC(CH2OH)3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 364959 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle