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N,N-Dimethyl-N'-(thiazol-2-yl)formimidamide

HCID 417372
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
18876-89-6
Standard SMILES
CN(C)C=Nc1nccs1
InChIKey
ZELZXDZNESXMHQ-UHFFFAOYSA-N
Molecular formula
C6H9N3S
Average molar mass
155.22 g/mol
Monoisotopic mass
155.05171847

Names & identifiers

Preferred name
N,N-Dimethyl-N'-(thiazol-2-yl)formimidamide
IUPAC
N,N-dimethyl-N'-(1,3-thiazol-2-yl)methanimidamide
English name
N,N-diMethyl-N'-(thiazol-2-yl)forMaMidine
Molecular formula
C6H9N3S
Molecular weight
155.22

Names & synonyms

N,N-Dimethyl-N'-(thiazol-2-yl)formimidamide18876-89-6(E)-N,N-dimethyl-N'-(thiazol-2-yl)formimidamideSCHEMBL1338005SCHEMBL1338007ZELZXDZNESXMHQ-UHFFFAOYSA-NN,N-dimethyl-N'-(2-thiazolyl)formamidineN,N-dimethyl-N'-thiazol-2-yl-formamidineN,N-DIMETHYL-N'-(THIAZOL-2-YL)FORMAMIDINEN,N-Dimethyl-N-(thiazol-2-yl)formimidamideMethanimidamide, N,N-dimethyl-N'-2-thiazolyl-

Database identifiers

CAS
18876-89-6
PubChem CID
417372

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
56.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
124

Physicochemical properties

Melting point
35 · 35-38 °C
Boiling point
229.2 · 229.2±23.0 °C(Predicted)
Density
1.16 · 1.16±0.1 g/cm3(Predicted)
pka
5.13 · 5.13±0.50(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

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

Chemistry & industry

Suppliers9 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

4 records
New reaction record
HRID 560297 reaction equation
HRID 560297As productuspto-grants-2011_11
HRID 560300 reaction equation
HRID 560300As reactantuspto-grants-2011_11
HRID 1566984 reaction equation
HRID 1566984As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2064744 reaction equation
HRID 2064744As reactantuspto-grants-2012_10

Compound notes

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