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N,N-Didemethylchlordimeform

HCID 42141
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Basic information

CAS
57151-04-9
Standard SMILES
Cc1cc(Cl)ccc1N=CN
InChIKey
HWQBXXMKFMTAOC-UHFFFAOYSA-N
Molecular formula
C8H9ClN2
Average molar mass
168.62 g/mol
Monoisotopic mass
168.045426

Names & identifiers

Preferred name
N,N-Didemethylchlordimeform
IUPAC
N'-(4-chloro-2-methylphenyl)methanimidamide
English name
N,N-didemethylchlordimeform
Molecular formula
C8H9ClN2
Molecular weight
168.62

Names & synonyms

DdcdmN,N-Didemethylchlordimeform57151-04-9DidemethylchlordimeformDTXSID30205783RefChem:161149DTXCID60128274DidemethylchlorodimeformN,N-Didemethyl chlordimeformN-(4-Chloro-2-methylphenyl)methanimidamideN'-(4-chloro-2-methylphenyl)methanimidamideBRN 2716596
Show more names
N1-(4-Chloro-2-methylphenyl)formamidine
Methanimidamide, N-(4-chloro-2-methylphenyl)-FORMAMIDINE, N-(4-CHLORO-o-TOLYL)-SCHEMBL10891784AKOS006279602

Database identifiers

CAS
57151-04-9
PubChem CID
42141
DTXSID
DTXSID30205783
Nikkaji
J69.618H

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
38.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
147

Physicochemical properties

Boiling point
230 · 230.0±50.0 °C(Predicted)
Density
1.18 · 1.18±0.1 g/cm3(Predicted)
pka
8.49 · 8.49±0.50(Predicted)

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Compound notes

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