1-Benzhydrylazetidine-3-carboxylic acid

C17H17NO2CAS 36476-87-6267.33 g/mol

Open in Covalent MOL file
NOOH
Carboxylic acidTertiary amine

Properties

Molecular formula
C17H17NO2
Molar mass
267.33 g/mol
Exact mass
267.1259 Da
logP
2.79Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
36476-87-6
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChIKey
BRSCYENHLCPOAU-UHFFFAOYSA-N
InChI
InChI=1S/C17H17NO2/c19-17(20)15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)

Weigh it out

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

Names and synonyms

1 names
  • 1-(Diphenylmethyl)azetidine-3-carboxylic acid

Work with 1-Benzhydrylazetidine-3-carboxylic acid

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

Similar compounds

1-Benzhydrylazetidin-3-ol18621-17-553 % similar 1-Benzhydrylazetan-3-ol40432-51-753 % similar Diphenylacetic acid117-34-052 % similar Phenylmalonic acid2613-89-052 % similar 1-(Diphenylmethyl)azetidin-3-one40320-60-351 % similar 1-Benzhydrylazetane-3-carbonitrile36476-86-550 % similar (+)-Phenylsuccinic acid4036-30-050 % similar (R)-(-)-Phenylsuccinic acid46292-93-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(Diphenylmethylene)glycine ethyl ester69555-14-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook