Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)

C7H11ClN2OCAS 206752-36-5174.63 g/mol

Open in Covalent MOL file
HClHNH2NH2O
Amidine

Properties

Molecular formula
C7H11ClN2O
Molar mass
174.63 g/mol
Exact mass
174.0560 Da
logP
0.57Crippen estimate
Polar surface area
81.4 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
206752-36-5
SMILES
Cl.N=C(N)c1ccccc1.O
InChIKey
BQVJCMMLDJPBFZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2.ClH.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H3,8,9);1H;1H2

Weigh it out

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Names and synonyms

1 names
  • Benzenecarboximidamide, monohydrochloride, hydrate

Work with Benzenecarboximidamide, hydrochloride, hydrate (1:1:?)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Benzamidine hydrochloride1670-14-0Anhydrous

Similar compounds

Biphenyl-4-carboxamidine hydrochloride111082-23-669 % similar 4-(Trifluoromethyl)benzamidine hydrochloride dihydrate175278-62-361 % similar 3-Methylbenzene-1-carboximidamide hydrochloride20680-59-558 % similar p-Aminobenzamidine dihydrochloride2498-50-257 % similar 4-Chlorobenzamidine hydrochloride14401-51-555 % similar p-Hydroxybenzamidine monohydrochloride38148-63-955 % similar 4-Fluorobenzamidine hydrochloride456-14-455 % similar 4-Bromobenzene-1-carboximidamide hydrochloride55368-42-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Methoxyphenyl)hydrazine hydrochloride19501-58-7 3-Methoxyphenylhydrazine hydrochloride39232-91-2 2-Methoxyphenylhydrazine hydrochloride57396-67-5 o-Methoxyphenylhydrazine hydrochloride6971-45-5

Elsewhere

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