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THYMINE-1-ACETICACID

THYMINE-1-ACETICACID structure

CAS No:
20924-05-4
Formula:
C7H8N2O4
Chemical Name:
THYMINE-1-ACETICACID
Synonyms:
THYMINE-1-ACETIC ACID;2-[5-METHYL-2,4-DIOXO-3,4-DIHYDRO-1(2H)-PYRIMIDINYL]ACETIC ACID;THYMINE-1-YL-ACETIC ACID ;[5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]acetic acid;Thymin-1-ylacetic acid;(5-Methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid;ThyMine-1-acetic acid 98%;1-Carboxymethylthymine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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THYMINE-1-ACETICACID Basic Attributes

Molecular Weight：

184.15

Exact Mass：

184.04840674 g/mol

DSSTox ID：

DTXSID80357488

HScode：

2933599090

Characteristics

PSA：

92.16000

XLogP3：

-1.07040

Density：

1.416

Melting Point：

272-278 °C (dec.) (lit.)

Boiling Point：

424.4ºC

Flash Point：

210.5ºC

Refractive Index：

1.54

Vapor Pressure：

5.57E-09mmHg at 25°C

PKA：

3.81±0.10

Safety Information

Hazard category：

IRRITANT

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261; P305 + P351 + P338

Hazard Statements：

H315; H319; H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:184.15
XLogP3:-0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:184.04840674
Monoisotopic Mass:184.04840674
Topological Polar Surface Area:86.7
Heavy Atom Count:13
Complexity:308
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Thymine-1-acetic acid

CAS No.: 20924-05-4

Content: 99.00%

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