2,3,6-Triaminopyridine

HCID 78015CAS 4318-79-0
Substructure searchFind similar structures

Basic information

Standard SMILES
Nc1ccc(N)c(N)n1
InChIKey
IRNVCLJBFOZEPK-UHFFFAOYSA-N
Molecular formula
C5H8N4
Average molar mass
124.14 g/mol
Monoisotopic mass
124.07489626

Overview

structure given in first source

Names & identifiers

Preferred name
2,3,6-Triaminopyridine
IUPAC
pyridine-2,3,6-triamine
English name
Pyridine-2,3,6-triamine
Molecular formula
C5H8N4
Molecular weight
124.14

Names & synonyms

4318-79-02,3,6-Triaminopyridine2,3,6-PyridinetriamineDTXSID40195767RefChem:81427DTXCID80118258pyridine-2,3,6-triamineMFCD001290242,3,6-Pyridinetriamine Hydrochloride;Pyridine, 2,3,6-triamino-BRN 01186674-22-00-05542 (Beilstein Handbook Reference)
Show more names
2,3,6-triamino-pyridin2,3,6-TRIAMINO PYRIDINEPyridin-2,3,6-triyltriamin2,3,6-Pyridinetriamine (9ci)2,6-DIAMINO-3-PYRIDINYLAMINE
SCHEMBL2419335SCHEMBL29655658IRNVCLJBFOZEPK-UHFFFAOYSA-NSBB018571STK693816AKOS005605207AB03630SY279499

Database identifiers

CAS
4318-79-0
PubChem CID
78015
DTXSID
DTXSID40195767
Nikkaji
J51.346F

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
91 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Boiling point
392.9 · 392.9±37.0 °C(Predicted)
Density
1.387 · 1.387±0.06 g/cm3(Predicted)
pka
6.05 · 6.05±0.50(Predicted)
EWG's Food Scores
1 · 1
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Chemistry & industry

Upstream & downstream products

Suppliers13 total

环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
郑州九亿时光新材料有限公司+86-15225627621 +86-13213167925 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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