N-(2-(Hydroxyethoxy)methyl)-5-methyluracil

HCID 72358

Basic information

CAS
68724-11-8
Standard SMILES
Cc1cn(COCCO)c(=O)[nH]c1=O
InChIKey
ATKOZYBRBNGECU-UHFFFAOYSA-N
Molecular formula
C8H12N2O4
Average molar mass
200.19 g/mol
Monoisotopic mass
200.07970686

Overview

structure given in first source

Names & identifiers

Preferred name
N-(2-(Hydroxyethoxy)methyl)-5-methyluracil
IUPAC
1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
English name
1-(2-HYDROXYETHOXY)METHYL-5-METHYLURACIL
Molecular formula
C8H12N2O4
Molecular weight
200.19

Names & synonyms

68724-11-8AcyclothymidineN-(2-(Hydroxyethoxy)methyl)-5-methyluracilDTXSID40218849RefChem:161619DTXCID401413401-(2-HYDROXYETHOXY)METHYL-5-METHYLURACIL1-((2-hydroxyethoxy)methyl)-5-methylpyrimidine-2,4(1H,3H)-dione1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione1-[(2-hydroxyethoxy)methyl]-5-methylpyrimidine-2,4(1h,3h)-dione1-[(2-Hydroxyethoxy)methyl]thymine1-(2-hydroxyethoxymethyl)-5-methyl-pyrimidine-2,4-dione
Show more names
5-Methyl-1-[(2-hydroxyethoxy)methyl]uracil5-benzamido-2-sulfobenzenediazonium chloride2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)me1-(2-HYDROXYETHOXY)METHYL-5-METHYLURACIL ISO 9001:2015 REACH2,4(1H,3H)-Pyrimidinedione, 1-[(2-hydroxyethoxy)methyl]-5-methyl-
1-[(2-OHEtO)Me]TCHEMBL11762SCHEMBL4088248ATKOZYBRBNGECU-UHFFFAOYSA-NHMS1617P15AKOS001696902CCG-117022SB59420

Database identifiers

CAS
68724-11-8
PubChem CID
72358
DTXSID
DTXSID40218849
ChEMBL
CHEMBL11762
Nikkaji
J33.402B

Properties

Computed structural properties

XLogP
-1.3
Topological polar surface area
78.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
140 · 140-141 °C
Density
1.285 · 1.285
storage temp.
2 · 2-8°C(protect from light)
pka
9.575 · 9.575±0.10(predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers16 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]

Related reactions

5 records

Compound notes

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