Pyrimidine-2,5-diamine

HCID 229075
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Basic information

CAS
22715-27-1
Standard SMILES
Nc1cnc(N)nc1
InChIKey
DNACGYGXUFTEHO-UHFFFAOYSA-N
Molecular formula
C4H6N4
Average molar mass
110.12 g/mol
Monoisotopic mass
110.05924619

Names & identifiers

Preferred name
Pyrimidine-2,5-diamine
IUPAC
pyrimidine-2,5-diamine
English name
2,5-Diaminopyrimidine
Molecular formula
C4H6N4
Molecular weight
110.12

Names & synonyms

pyrimidine-2,5-diamineRefChem:870940851-182-02,5-Diaminopyrimidine22715-27-12,5-Diaminepyrimidine2,5-PyrimidinediamineMFCD00129726NSC22476Pyrimidine, 2,5-diamino-SCHEMBL2495212DTXSID80281673
Show more names
2,5-Pyrimidinediamine (9CI)(2-aminopyrimidin-5-yl)aminepyrimidine-2,5-diamine - [P22488]2,5-Diaminopyrimidine ISO 9001：2015 REACH
NSC-22476AKOS000265300AS-30710CS-0019001EN300-36171Z362768106AMY15725FT-0645386

Database identifiers

CAS
22715-27-1
PubChem CID
229075
DTXSID
DTXSID80281673
EC Number
851-182-0
Nikkaji
J83.215D

Properties

Computed structural properties

XLogP
-0.8
Topological polar surface area
77.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
200 °C · 200 °C
Boiling point
401.7 · 401.7±37.0 °C(Predicted)
Density
1.368 · 1.368±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
4.83 · 4.83±0.10(Predicted)
Appearance
Yellow to brown Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers92 total

上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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