4,6-Diaminonicotinonitrile

HCID 295896CAS 75776-47-5
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1cnc(N)cc1N
InChIKey
TWMYIGNIDPMOSD-UHFFFAOYSA-N
Molecular formula
C6H6N4
Average molar mass
134.14 g/mol
Monoisotopic mass
134.05924621

Names & identifiers

Preferred name
4,6-Diaminonicotinonitrile
IUPAC
4,6-diaminopyridine-3-carbonitrile
English name
3-Cyano-4,6-diaMinopyridine
Molecular formula
C6H6N4
Molecular weight
134.14

Names & synonyms

4,6-Diaminonicotinonitrile75776-47-54,6-diaminopyridine-3-carbonitrile3-Cyano-4,6-diaminopyridineNSC1655222,4-Diamino-5-cyanopyridineSCHEMBL1457800SCHEMBL30971228DTXSID103043644,6-Diamino-3-pyridincarbonitrilTWMYIGNIDPMOSD-UHFFFAOYSA-NADA77647
Show more names
NSC 1655224,6-Diamino-2-nicotinonitrile4,6-DiaMino-3-pyridinecarbonitrile3-Pyridinecarbonitrile, 4,6-diamino-
AKOS006286873NSC-165522DB-075018CS-0245024EN300-2983314

Database identifiers

CAS
75776-47-5
PubChem CID
295896
DTXSID
DTXSID10304364
EC Number
880-902-6

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
88.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
10

Physicochemical properties

Melting point
205 ℃ · 205℃ (benzene )
Boiling point
449.9 · 449.9±45.0 °C(Predicted)
Density
1.34 · 1.34±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
solid
pka
6.14 · 6.14±0.24(Predicted)

Safety & regulation

Safety data

wgk
WGK 3
Signal word
Warning
Symbol(GHS)
GHS07,GHS09
Storage Class
11 - Combustible Solids
Hazard statements
H319-H410
Hazard Classifications
Aquatic Chronic 1Eye Irrit. 2

Chemistry & industry

Upstream & downstream products

Suppliers9 total

环生美森医药技术（山东）有限公司0531-88762217 18301471076 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
华诺医药科技(广西)有限公司13005928603 · [email protected]

Related reactions

26 records
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Linked notes

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