1,3,5-Triazin-2-amine

HCID 20077
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Basic information

CAS
4122-04-7
Standard SMILES
Nc1ncncn1
InChIKey
KCZIUKYAJJEIQG-UHFFFAOYSA-N
Molecular formula
C3H4N4
Average molar mass
96.09 g/mol
Monoisotopic mass
96.04359615

Names & identifiers

Preferred name
1,3,5-Triazin-2-amine
IUPAC
1,3,5-triazin-2-amine
English name
2-Amino-1,3,5-triazine
Molecular formula
C3H4N4
Molecular weight
96.09

Names & synonyms

1,3,5-Triazin-2-amine4122-04-7DTXSID70194147EINECS 223-920-6NSC 54656RefChem:412498DTXCID80116638223-920-62-Amino-1,3,5-triazineMFCD00023179Amino-1,3,5-Triazine2-AMINO-S-TRIAZINE
Show more names
2-AMINO-1,3,5-TRIAZINE 98%2-Amino-1,3,5-triazine,98%2-AMino-1,3,5-triazine, 98% 1GR[diacetyloxy(ethenyl)silyl] acetate1,3,5-Triazin-2-amine, 2-Amino-s-triazine
1,3,5-Triazine-2-ylamineCHEMBL89436NSC-54656s-Triazine-2-amine2-Aminotriazeneamino-s-triazineTIMTEC-BB SBB0055301,3,5-Triazin-2(5H)-imine

Database identifiers

CAS
4122-04-7
PubChem CID
20077
DTXSID
DTXSID70194147
ChEMBL
CHEMBL89436
UNII
QD6Q84R3LQ
EC Number
223-920-6
Nikkaji
J224.930H

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
64.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
7

Physicochemical properties

Melting point
219 · 219-224 °C
Boiling point
169.59 °C · 169.59°C (rough estimate)
Density
1.217 · 1.2170 (rough estimate)
refractive index
1.738 · 1.7380 (estimate)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
3.08 · 3.08±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code
29336980
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
24/25

Chemistry & industry

Applications

Uses2-Amino-1,3,5-triazine is an oral anti-inflammatory agent that suppresses bladder hyperactivity in a rat model.

Upstream & downstream products

Downstream products

Suppliers43 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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