Ethyl benzimidate

HCID 79250
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Basic information

CAS
825-60-5
Standard SMILES
CCOC(=N)c1ccccc1
InChIKey
CQBWPUJYGMSGDU-UHFFFAOYSA-N
Molecular formula
C9H11NO
Average molar mass
149.19 g/mol
Monoisotopic mass
149.08406397

Names & identifiers

Preferred name
Ethyl benzimidate
IUPAC
ethyl benzenecarboximidate
English name
Benzimidic acid ethyl
Molecular formula
C9H11NO
Molecular weight
149.19

Names & synonyms

Ethyl benzimidateethyl benzenecarboximidate825-60-5NSC-2437032RX5T6F5DRDTXSID80863519RefChem:1085025DTXCID60812121Benzenecarboximidic acid, ethyl esterPhenylethoxymethylenamineIminobenzyl ethyl etherBenzamidic acid ethyl ester
Show more names
α-Iminobenzylethyl etherα-EthoxybenzenemethanimineBenzimidic acid ethyl esterN-[3-[4-(3-acetaMidopropylaMino)butylaMino]propyl]acetaMide,dihydrochloride
Benzimidic acid, ethyl esterBenzimidic acid ethylEthyl benzenecarboximidoatebenzimino ethyl etherEthyl phenylimidoformateEthyl benzenecarboximidoate #SCHEMBL437904SCHEMBL3228443

Database identifiers

CAS
825-60-5
PubChem CID
79250
DTXSID
DTXSID80863519
UNII
2RX5T6F5DR
Nikkaji
J47.149F

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
11

Physicochemical properties

Boiling point
219 °C · 219 °C(Press: 747 Torr)
Density
0.98 · 0.98±0.1 g/cm3(Predicted)
pka
6.28 · 6.28±0.43(Predicted)
FDA UNII
2 RX5T6F5DR · 2RX5T6F5DR

Chemistry & industry

Upstream & downstream products

Suppliers6 total

郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
武汉逸翮科技有限公司1842-7358864 18427358864 · [email protected]
沈阳莫德医药科技有限公司024-23982345 · [email protected]
湖北丽都新材料科技有限公司19307246857 19307246857 · [email protected]

Related reactions

12 records
New reaction record

Compound notes

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