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Cytosine

Cytosine structure

CAS No:
71-30-7
Formula:
C4H5N3O
Chemical Name:
Cytosine
Synonyms:
2(1H)-Pyrimidinone,6-amino-;2(1H)-Pyrimidinone,4-amino-;Cytosine;6-Amino-2(1H)-pyrimidinone;4-Amino-2-hydroxypyrimidine;4-Amino-2-oxo-1,2-dihydropyrimidine;4-Amino-2(1H)-pyrimidinone;Cytosinimine;4-Aminouracil;NSC 27787;4-Amino-1H-pyrimidin-2-one;Cytosines;2-Hydroxy-4-pyrimidinamine;504-05-2;14987-28-1;26661-23-4;66322-75-6;66398-98-9;66460-16-0;66460-17-1;80275-67-8;88733-25-9;118511-36-7;149297-78-9;918399-36-7;1268833-99-3
Categories:
Cosmetic Ingredient > Skin Conditioning

Description

6-Aminopyrimidin-2(1H)-one is an organic compound that belongs to the class known as pyrimidones.

Cytosine (C) is one of the four main bases found in DNA and RNA, along with adenine, guanine, and thymine (uracil in RNA). It is a pyrimidine derivative, with a heterocyclic aromatic ring and two substituents attached (an amine group at position 4 and a keto group at position 2). The nucleoside of cytosine is cytidine. In Watson-Crick base pairing, it forms three hydrogen bonds with guanine.

Solid

Cytosine is an aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. It has a role as a human metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a pyrimidine nucleobase, a pyrimidone and an aminopyrimidine.|Cytosine is a pyrimidine base found in DNA and RNA that pairs with guanine.|A pyrimidine base that is a fundamental unit of nucleic acids.

Cytosine Basic Attributes

Molecular Weight：

111.10200

Exact Mass：

111.10

EC Number：

200-749-5

UNII：

8J337D1HZY

NSC Number：

27787

DSSTox ID：

DTXSID4044456

NCI Thesaurus Code：

C410

HScode：

2933599090

Characteristics

PSA：

71.77000

XLogP3：

-1.7

Appearance：

Solid

Density：

0.48

Melting Point：

322.5 °C (decomp)

Boiling Point：

445.8ºC at 760 mmHg

Flash Point：

223.4ºC

Refractive Index：

1.688

Water Solubility：

H2O: soluble

Storage Conditions：

Store at RT.

Collision Cross Section：

121.58 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|117.5 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|122.8 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|117.4 Å² [M+H]+

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

UW7350150

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

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 58 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	>2222 mg/kg	Behavioral--somnolence (general depressed activity) Behavioral--changes in motor activity (specific assay)	Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 207,504,1978

Drug Information

MeSH Entry Terms：

Cytosine

Cytosine Use and Manufacturing

Uses

Widely distributed in nature; constituent of nucleic acids

Manufacturing Info：

2(1H)-Pyrimidinone, 6-amino-: ACTIVE

Computed Properties

Molecular Weight:111.10
XLogP3:-1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:111.043261792
Monoisotopic Mass:111.043261792
Topological Polar Surface Area:67.5
Heavy Atom Count:8
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

131-83-9

Material

Hydrochloric acid

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