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N4-Acetylcytosine

N4-Acetylcytosine structure

CAS No:
14631-20-0
Formula:
C6H7N3O2
Chemical Name:
N4-Acetylcytosine
Categories:
Pharmaceutical Intermediates > Antivirals

Description

Crstalline powder

N(4)-acetylcytosine is a pyrimidone that is cytosine bearing an N(4)-acetyl substituent. It is a pyrimidone, a nucleobase analogue and a member of acetamides. It derives from a cytosine.

N4-Acetylcytosine Basic Attributes

Molecular Weight：

153.14

Exact Mass：

153.053833

EC Number：

1806241-263-5

NSC Number：

210403

DSSTox ID：

DTXSID30163354

HScode：

29335995

Characteristics

PSA：

70.6

XLogP3：

-2.4

Density：

1.41±0.1 g/cm3(Predicted)

Melting Point：

>300 °C(lit.)

Refractive Index：

1.625

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

22-24/25-37/39-26-37

Marks：

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

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 6 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:153.14
XLogP3:-2.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:153.053826475
Monoisotopic Mass:153.053826475
Topological Polar Surface Area:70.6
Heavy Atom Count:11
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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