AG003QEC

5333-86-8 | Ethyl benzimidate, HCl

AG003QEC

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CAS Number	5333-86-8
Catalog Number	AG003QEC(AGN-PC-0JLRVP)
Chemical Name	Ethyl benzimidate, HCl
EC Number	226-248-1
IUPAC Name	ethyl benzenecarboximidate;hydrochloride
InChI	InChI=1S/C9H11NO.ClH/c1-2-11-9(10)8-6-4-3-5-7-8;/h3-7,10H,2H2,1H3;1H
InChI Key	MODZVIMSNXSQIH-UHFFFAOYSA-N
MDL Number	MFCD00043246
Molecular Formula	C9H12ClNO
Molecular Weight	185.6507
NSC Number	2354
SMILES	N=C(OCC)C1=CC=CC=C1.[H]Cl
Synonyms	Ethyl benzimidate hydrochloride, 5333-86-8, Benzimidic acid ethyl ester HCl, Benzenecarboximidic acid, ethyl ester, hydrochloride, Ethylbenzimidate hydrochloride, ethyl benzenecarboximidate hydrochloride, Ethyl benzimidate HCl, Ethyl benzylimidate hydrochloride, Ethyl iminobenzoate hydrochloride, Benzimido ethyl ether hydrochloride, Benzimidoyl ethyl ether hydrochloride, MFCD00043246, Benzenecarboximidic acid, ethyl ester, hydrochloride (1:1), NSC 2354, EINECS 226-248-1, Ethyl benzimidate, HCl, Benzimidic acid, ethyl ester, hydrochloride, AC1L2WZG, AC1Q3DHY, ethyl benzenecarboximidoate hydrochloride(1:1), ACMC-1AY85, Benzimidic acid, hydrochloride, SCHEMBL336974, DTXSID4063791, CTK3J4068, NSC2354, MODZVIMSNXSQIH-UHFFFAOYSA-N, NSC-2354, SBB065123, AKOS009157274, Benzenecarboximidic acid, hydrochloride, MCULE-7983066179, benzimidic acid ethyl ester hydrochloride, AN-21085, P731, SY060984, AB0017173, RT-001841, TL8003507, FT-0626164, ST50409216, MFCD00043246 (97%), X-1009, benzenecarboximidic acid ethyl ester hydrochloride, Ethyl benzimidate hydrochloride, >=97.0% (AT), I01-7058, C9H12ClNO, C9H11NO.ClH, C9-H11-N-O.Cl-H, CID79249, AR-1I9639, 5423-76-7,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.061g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.651g/mol
Monoisotopic Mass	185.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	33.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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