Antazoline phosphate

C₁₇H₂₂N₃O₄PCAS 154-68-7363.35 g/mol

Open in Covalent MOL file

Amidine Phosphate Tertiary amine

Properties

Molecular formula: C₁₇H₂₂N₃O₄P
Molar mass: 363.35 g/mol
Exact mass: 363.1348 Da
Melting point: 194–198 °C
logP: 1.77Crippen estimate
Polar surface area: 105.4 Å²
H-bond donors / acceptors: 4 / 4
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation95.2% of notifiers
H319 Causes serious eye irritation95.2% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

154-68-7

SMILES

O=P(O)(O)O.c1ccc(CN(CC2=NCCN2)c2ccccc2)cc1

InChIKey

DUIGUKRYYAGJAF-UHFFFAOYSA-N

InChI

InChI=1S/C17H19N3.H3O4P/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;1-5(2,3)4/h1-10H,11-14H2,(H,18,19);(H3,1,2,3,4)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

1H-Imidazole-2-methanamine, 4,5-dihydro-N-phenyl-N-(phenylmethyl)-, phosphate (1:1)
2-Imidazoline, 2-[(N-benzylanilino)methyl]-, phosphate (1:1)
Antistine phosphate
2-[(N-Benzylanilino)methyl]-2-imidazoline dihydrogen phosphate

Work with Antazoline phosphate

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.

Antazoline91-75-8Free base Antazoline hydrochloride2508-72-7Salt

Similar compounds

Tolazoline59-98-346 % similar Tolazoline hydrochloride59-97-243 % similar Dibenzylaniline91-73-640 % similar Phentolamine50-60-238 % similar Ethylbenzylaniline92-59-135 % similar 2-Phenylimidazoline936-49-235 % similar Phentolamine methanesulfonate65-28-134 % similar Naphazoline835-31-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook