Name: Name:Benzoic acid, 3-(aminoiminomethyl)-, methyl ester, hydrochloride (1:1)
Brand: Angene
SKU: AG0023GT
Rating: 90 (10 reviews)

Benzoic acid, 3-(aminoiminomethyl)-, methyl ester, hydrochloride (1:1)

CAS No.:

18219-39-1

Catalog Number:

AG0023GT

Molecular Formula:

C9H11ClN2O2

Molecular Weight:

214.6488

Catalog Number:

AG0023GT

Chemical Name:

Benzoic acid, 3-(aminoiminomethyl)-, methyl ester, hydrochloride (1:1)

CAS Number:

18219-39-1

Molecular Formula:

C9H11ClN2O2

Molecular Weight:

214.6488

MDL Number:

MFCD06411222

IUPAC Name:

methyl 3-carbamimidoylbenzoate;hydrochloride

InChI:

InChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-4-2-3-6(5-7)8(10)11;/h2-5H,1H3,(H3,10,11);1H

InChI Key:

DYMXEQLOMHMOQE-UHFFFAOYSA-N

SMILES:

NN=Cc1cccc(c1)C(=O)OC.Cl

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.649g/mol

Monoisotopic Mass:

214.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: