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Name |
Thymine propenal |
EINECS | N/A |
CAS No. | 85394-19-0 | Density | 1.374g/cm3 |
PSA | 72.19000 | LogP | -0.07310 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H8N2O3 | Boiling Point | °Cat760mmHg |
Molecular Weight | 180.163 | Flash Point | °C |
Transport Information | N/A | Appearance | N/A |
Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(Thymin-1'-yl)-2-propenal;2-Propenal,3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl);Thymine-N(1)-2-propenal;Thymine propenal;C8H8N2O3;TNPP; |
Article Data | 6 |
The molecule structure of Thymine propenal (CAS NO.85394-19-0):
IUPAC Name: (E)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enal
Molecular Weight: 180.16072 g/mol
Molecular Formula: C8H8N2O3
XLogP3-AA: -0.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass:180.053492
MonoIsotopic Mass: 180.053492
Topological Polar Surface Area: 66.5
Heavy Atom Count: 13
Complexity: 317
InChI: InChI=1S/C8H8N2O3/c1-6-5-10(3-2-4-11)8(13)9-7(6)12/h2-5H,1H3,(H,9,12,13)/b3-2+
InChIKey: CDPXAPVOBNKPPD-NSCUHMNNSA-N
Synonyms of Thymine propenal (CAS NO.85394-19-0): CCRIS 8713 ; TNPP ; Thymine-N(1)-2-propenal ; 3-(Thymin-1'-yl)-2-propenal
1. | add-ctl-oth 0.5 mmol/L/24H | CRTOEC Chemical Research in Toxicology. 13 (2000),1235. | ||
2. | mic-sat 0.1 µmol/plate/48H | CRTOEC Chemical Research in Toxicology. 13 (2000),1235. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.