Thymine propenal supplier | CasNO.85394-19-0

Name
3-(thymin-1'-yl)-2-propenal
EINECS
CAS No. 85394-19-0
Article Data6
CAS DataBase
Density 1.374g/cm³
Solubility
Melting Point
Formula C₈H₈N₂O₃
Boiling Point °Cat760mmHg
Molecular Weight 180.163
Flash Point °C
Transport Information
Appearance
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 72.19000
LogP -0.07310

Thymine propenal Chemical Properties

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

Thymine propenal Toxicity Data With Reference

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.

Thymine propenal Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NO_x.

Product Name

3-(thymin-1'-yl)-2-propenal

Thymine propenal Chemical Properties

Thymine propenal Toxicity Data With Reference

Thymine propenal Safety Profile

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