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5-methylcytosine

CAS 554-01-8C5H7N3OMW 125.13

5-methylcytosine (CAS 554-01-8) — formula C5H7N3O, molecular weight 125.13; category organic chemicals.

Specifications

CAS Number554-01-8
Molecular FormulaC5H7N3O
Molecular Weight125.13
Melting Point270 °C
LogP-0.8
CategoryOrganic Chemicals

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What this product is

5-methylcytosine is a carbon-based organic compound with CAS registry number 554-01-8 and molecular formula C5H7N3O (molecular weight 125.13), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 554-01-8

Its molecular formula C5H7N3O comprises 5 C, 7 H, 3 N, 1 O atoms.

Also known as: 5-methylcytosine

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of 5-methylcytosine?

The CAS registry number of 5-methylcytosine is 554-01-8.

What is the molecular formula and molecular weight of 5-methylcytosine?

Molecular formula C5H7N3O, molecular weight 125.13.

What other names is 5-methylcytosine known by?

It is also registered under: 5-methylcytosine.

Which category does 5-methylcytosine belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for 5-methylcytosine (CAS 554-01-8), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH317 (95.1%), H319 (100%)

H317 (95.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Physical description and handling notes

  • Solid
  • 135.5 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
  • 125.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
  • 121 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Reported physical properties

熔点270 °C
溶解度34.5 mg/mL
Collision Cross Section135.7 Ų [M+Na]+
Collision Cross Section125.7 Ų [M+H]+
Collision Cross Section121.1 Ų [M+H]+

How this substance is indexed

CAS Registry Number554-01-8
PubChem CID65040
分子式C5H7N3O
IUPAC 名称6-amino-5-methyl-1H-pyrimidin-2-one
UNII(FDA)6R795CQT4H

Names this substance appears under

5-Methylcytosine; 554-01-8; 2(1H)-Pyrimidinone, 4-amino-5-methyl-; 6-amino-5-methyl-1H-pyrimidin-2-one; 6R795CQT4H; DTXSID50203948; NSC-137776; CHEBI:27551; 5 Methylcytosine; 6-amino-5-methyl-1,2-dihydropyrimidin-2-one; 5 Methylcytosine Monohydrochloride; Monohydrochloride, 5-Methylcytosine; RefChem:103183; DTXCID80126439; 209-058-3; 4-amino-5-methylpyrimidin-2(1H)-one

Computed molecular descriptors

分子量125.13
XLogP3-0.8
氢键供体数2
氢键受体数2
可旋转键数0
精确质量125.058911855
单同位素质量125.058911855
拓扑极性表面积67.5
重原子数9
形式电荷0

Database abstract

5-methylcytosine · CAS 554-01-8 · C5H7N3O. UNII 6R795CQT4H. 熔点: 270 °C; 溶解度: 34.5 mg/mL; Collision Cross Section: 135.7 Ų [M+Na]+.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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