(E)-3-(Dimethylamino)-1-(pyrazin-2-YL)prop-2-EN-1-one

HCID 5825354
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Basic information

CAS
111781-53-4
Standard SMILES
CN(C)/C=C/C(=O)c1cnccn1
InChIKey
CLHUZMQFALLXDS-ZZXKWVIFSA-N
Molecular formula
C9H11N3O
Average molar mass
177.2 g/mol

Names & identifiers

Preferred name
(E)-3-(Dimethylamino)-1-(pyrazin-2-YL)prop-2-EN-1-one
IUPAC
(E)-3-(dimethylamino)-1-pyrazin-2-ylprop-2-en-1-one
English name
3-(Dimethylamino)-1-(2-pyrazinyl)-2-propen-1-one
Molecular formula
C9H11N3O
Molecular weight
177.2

Names & synonyms

111781-53-43-(dimethylamino)-1-(2-pyrazinyl)-2-propen-1-one866000-17-1(E)-3-(DIMETHYLAMINO)-1-(PYRAZIN-2-YL)PROP-2-EN-1-ONE(2E)-3-(dimethylamino)-1-(pyrazin-2-yl)prop-2-en-1-oneMFCD02325230SCHEMBL4262480(E)-3-(dimethylamino)-1-pyrazin-2-ylprop-2-en-1-oneCLHUZMQFALLXDS-ZZXKWVIFSA-NSBB089275AKOS005070361DB-102350
Show more names
3-(DIMETHYLAMINO)-1-(PYRAZIN-2-YL)PROP-2-EN-1-ONE2-Propen-1-one, 3-(dimethylamino)-1-(2-pyrazinyl)-
CS-0054762EN300-2435553-DIMETHYLAMINO-1-PYRAZIN-2-YL-PROPENONE3W-0873AI-031/14096008(2E)-3-(dimethylamino)-1-pyrazin-2-ylprop-2-en-1-one(2E)-3-(Dimethylamino)-1-(2-pyrazinyl)-2-propen-1-one

Database identifiers

CAS
111781-53-4
PubChem CID
5825354
EC Number
884-352-8
Nikkaji
J2.970.364G

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
46.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13

Physicochemical properties

Melting point
131 · 131-133°
Boiling point
288.1 · 288.1±40.0 °C(Predicted)
Density
1.122 · 1.122±0.06 g/cm3(Predicted)
pka
5.88 · 5.88±0.70(Predicted)
HazardClass
IRRITANT
HS Code
2933998090 · 2933998090

Safety & regulation

Safety data

hs_code
2933998090
hazard_class
IRRITANT

Chemistry & industry

Suppliers15 total

Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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